acompound

Showing entry for Harmalol

General Compound Information
BXGC Id	BXGC0000655
Compound Name	Harmalol
Structure
Formula	C12H12N2O
InchiKey	RHVPEFQDYMMNSY-UHFFFAOYSA-N
SMILES	CC1=NCCC2=C1NC1=C2C=CC(O)=C1
Inchi	InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
IUPAC	1-methyl-3H,4H,9H-pyrido[3,4-b]indol-7-ol
Molecular Weight	200.24
Pubchem Id	3565
Chembl Id	CHEMBL129177

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

50132101

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT010594	5-hydroxytryptamine receptor 5A	reviewed	G-protein coupled receptor	HTR5A	>10000	-	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	-	11280	-	-

CHEMBL

CHEMBL129177

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	35481	nM
Q15759	BXGT013595	Mitogen-activated protein kinase 11	reviewed	Kinase	MAPK11	Activity	'='	95	%
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	Activity	'='	92	%
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	Activity	'='	88	%
Q9BUB5	BXGT020133	MAP kinase-interacting serine/threonine-protein kinase 1	reviewed	Kinase	MKNK1	Activity	'='	97	%
O15264	BXGT004144	Mitogen-activated protein kinase 13	reviewed	Kinase	MAPK13	Activity	'='	89	%
P27361	BXGT009176	Mitogen-activated protein kinase 3	reviewed	Kinase	MAPK3	Activity	'='	107	%
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	19952	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	7943	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	7943	nM
P55210	BXGT011110	Caspase-7	reviewed	Enzyme	CASP7	Potency	'='	12589	nM
P49137	BXGT010680	MAP kinase-activated protein kinase 2	reviewed	Kinase	MAPKAPK2	Activity	'='	88	%
O00418	BXGT003918	Eukaryotic elongation factor 2 kinase	reviewed	Kinase	EEF2K	Activity	'='	102	%
Q96SB4	BXGT019740	SRSF protein kinase 1	reviewed	Kinase	SRPK1	Activity	'='	88	%
Q05513	BXGT012820	Protein kinase C zeta type	reviewed	Kinase	PRKCZ	Activity	'='	88	%
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	1412	nM
Q15746	BXGT013591	Myosin light chain kinase, smooth muscle	reviewed	Kinase	MYLK	Activity	'='	107	%
Q16539	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	Activity	'='	96	%
Q9HC98	BXGT020528	Serine/threonine-protein kinase Nek6	reviewed	Kinase	NEK6	Activity	'='	93	%
Q9P286	BXGT021299	Serine/threonine-protein kinase PAK 5	reviewed	Kinase	PAK5	Activity	'='	95	%
P46063	BXGT010501	ATP-dependent DNA helicase Q1	reviewed	Enzyme	RECQL	Potency	'='	31622	nM
Q13188	BXGT013324	Serine/threonine-protein kinase 3	reviewed	Kinase	STK3	Activity	'='	90	%
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	17782	nM
P45983	BXGT010494	Mitogen-activated protein kinase 8	reviewed	Kinase	MAPK8	Activity	'='	102	%
Q96RR4	BXGT019734	Calcium/calmodulin-dependent protein kinase kinase 2	reviewed	Kinase	CAMKK2	Activity	'='	90	%
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	12589	nM
Q13951	BXGT013407	Core-binding factor subunit beta	reviewed	-	CBFB	Potency	-	11220	nM
Q01196	BXGT012575	Runt-related transcription factor 1	reviewed	Transcription factor	RUNX1	Potency	-	11220	nM
Q9H422	BXGT020469	Homeodomain-interacting protein kinase 3	reviewed	Kinase	HIPK3	Activity	'='	93	%
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	Inhibition	'='	15	%
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	Inhibition	'='	13	%
Q8IW41	BXGT018352	MAP kinase-activated protein kinase 5	reviewed	Kinase	MAPKAPK5	Activity	'='	85	%
Q9HBH9	BXGT020521	MAP kinase-interacting serine/threonine-protein kinase 2	reviewed	Kinase	MKNK2	Activity	'='	106	%
P45984	BXGT010495	Mitogen-activated protein kinase 9	reviewed	Kinase	MAPK9	Activity	'='	99	%
Q9H2X6	BXGT020458	Homeodomain-interacting protein kinase 2	reviewed	Kinase	HIPK2	Activity	'='	101	%
O14920	BXGT004110	Inhibitor of nuclear factor kappa-B kinase subunit beta	reviewed	Kinase	IKBKB	Activity	'='	74	%
O40947	BXGT004554	ORF 73	unreviewed	-		AC50	'>'	350000	nM
P19784	BXGT008513	Casein kinase II subunit alpha'	reviewed	Kinase	CSNK2A2	Activity	'='	91	%
P68400	BXGT011599	Casein kinase II subunit alpha	reviewed	Kinase	CSNK2A1	Activity	'='	91	%
P67870	BXGT011566	Casein kinase II subunit beta	reviewed	Kinase	CSNK2B	Activity	'='	91	%
Q13627	BXGT013385	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	reviewed	Kinase	DYRK1A	Activity	'='	67	%
Q9UQB9	BXGT021810	Aurora kinase C	reviewed	Kinase	AURKC	Activity	'='	91	%
P29466	BXGT009349	Caspase-1	reviewed	Enzyme	CASP1	Potency	'='	15848	nM
O00141	BXGT003882	Serine/threonine-protein kinase Sgk1	reviewed	Kinase	SGK1	Activity	'='	86	%
P51955	BXGT010908	Serine/threonine-protein kinase Nek2	reviewed	Kinase	NEK2	Activity	'='	82	%
Q8TDX7	BXGT018817	Serine/threonine-protein kinase Nek7	reviewed	Kinase	NEK7	Activity	'='	109	%
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	33498	nM
O43781	BXGT004625	Dual specificity tyrosine-phosphorylation-regulated kinase 3	reviewed	Kinase	DYRK3	Activity	'='	71	%
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Activity	'='	83	%
P78396	BXGT011842	Cyclin-A1	reviewed	Enzyme modulator	CCNA1	Activity	'='	101	%
P20248	BXGT008554	Cyclin-A2	reviewed	Enzyme modulator	CCNA2	Activity	'='	101	%
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	Activity	'='	101	%
Q9NQU5	BXGT021169	Serine/threonine-protein kinase PAK 6	reviewed	-	PAK6	Activity	'='	92	%
Q8IWQ3	BXGT018355	Serine/threonine-protein kinase BRSK2	reviewed	Kinase	BRSK2	Activity	'='	98	%
O96017	BXGT005415	Serine/threonine-protein kinase Chk2	reviewed	Kinase	CHEK2	Activity	'='	122	%
O15530	BXGT004177	3-phosphoinositide-dependent protein kinase 1	reviewed	Kinase	PDPK1	Activity	'='	93	%
P47898	BXGT010594	5-hydroxytryptamine receptor 5A	reviewed	G-protein coupled receptor	HTR5A	Ki	'>'	10000	nM
P17612	BXGT008322	cAMP-dependent protein kinase catalytic subunit alpha	reviewed	Kinase	PRKACA	Activity	'='	90	%
P11309	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	Activity	'='	92	%
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	31622	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	28183	nM
P48730	BXGT010656	Casein kinase I isoform delta	reviewed	Kinase	CSNK1D	Activity	'='	94	%
Q92630	BXGT019360	Dual specificity tyrosine-phosphorylation-regulated kinase 2	reviewed	Kinase	DYRK2	Activity	'='	86	%
Q16644	BXGT013647	MAP kinase-activated protein kinase 3	reviewed	Kinase	MAPKAPK3	Activity	'='	99	%
P53778	BXGT011013	Mitogen-activated protein kinase 12	reviewed	Kinase	MAPK12	Activity	'='	104	%
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	31622	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	31622	nM
O96013	BXGT005414	Serine/threonine-protein kinase PAK 4	reviewed	Kinase	PAK4	Activity	'='	105	%
P23443	BXGT008866	Ribosomal protein S6 kinase beta-1	reviewed	Kinase	RPS6KB1	Activity	'='	94	%
Q8TD08	BXGT018803	Mitogen-activated protein kinase 15	reviewed	Kinase	MAPK15	Activity	'='	62	%
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	35481	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	79432	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	31622	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	31622	nM
P06240	BXGT006428	Proto-oncogene tyrosine-protein kinase LCK	reviewed	-	Lck	Activity	'='	93	%
P53779	BXGT011014	Mitogen-activated protein kinase 10	reviewed	Kinase	MAPK10	Activity	'='	113	%
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Activity	'='	95	%
Q96GD4	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	Activity	'='	90	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	88	%
P51812	BXGT010893	Ribosomal protein S6 kinase alpha-3	reviewed	Kinase	RPS6KA3	Activity	'='	83	%
P38398	BXGT010037	Breast cancer type 1 susceptibility protein	reviewed	Enzyme	BRCA1	Potency	'='	31622	nM
Q14680	BXGT013499	Maternal embryonic leucine zipper kinase	reviewed	Kinase	MELK	Activity	'='	77	%
Q86V86	BXGT017617	Serine/threonine-protein kinase pim-3	reviewed	-	PIM3	Activity	'='	71	%
P31749	BXGT009574	RAC-alpha serine/threonine-protein kinase	reviewed	Kinase	AKT1	Activity	'='	89	%
O14757	BXGT004092	Serine/threonine-protein kinase Chk1	reviewed	Kinase	CHEK1	Activity	'='	84	%
Q14012	BXGT013437	Calcium/calmodulin-dependent protein kinase type 1	reviewed	Kinase	CAMK1	Activity	'='	101	%
Q9HC16	BXGT020525	DNA dC->dU-editing enzyme APOBEC-3G	reviewed	Enzyme	APOBEC3G	Potency	-	21136	nM
P54132	BXGT011032	Bloom syndrome protein	reviewed	-	BLM	Potency	'='	39810	nM
P00523	BXGT005572	Proto-oncogene tyrosine-protein kinase Src	reviewed	-	SRC	Activity	'='	85	%
Q15139	BXGT013546	Serine/threonine-protein kinase D1	reviewed	Kinase	PRKD1	Activity	'='	111	%
P31751	BXGT009576	RAC-beta serine/threonine-protein kinase	reviewed	Kinase	AKT2	Activity	'='	81	%
Q9P1W9	BXGT021296	Serine/threonine-protein kinase pim-2	reviewed	Kinase	PIM2	Activity	'='	101	%
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	-	-	-
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	12589	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Inhibition	'='	162	%
P41240	BXGT010242	Tyrosine-protein kinase CSK	reviewed	Kinase	CSK	Activity	'='	84	%
Q8N5S9	BXGT018520	Calcium/calmodulin-dependent protein kinase kinase 1	reviewed	Kinase	CAMKK1	Activity	'='	103	%
Q02750	BXGT012662	Dual specificity mitogen-activated protein kinase kinase 1	reviewed	Kinase	MAP2K1	Activity	'='	86	%
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	26608	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	12589	nM
Q16513	BXGT013632	Serine/threonine-protein kinase N2	reviewed	Kinase	PKN2	Activity	'='	86	%
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	31622	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	11280	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	14125	nM
O75116	BXGT005100	Rho-associated protein kinase 2	reviewed	Kinase	ROCK2	Activity	'='	91	%
Q15418	BXGT013569	Ribosomal protein S6 kinase alpha-1	reviewed	Kinase	RPS6KA1	Activity	'='	100	%
O75582	BXGT005137	Ribosomal protein S6 kinase alpha-5	reviewed	Kinase	RPS6KA5	Activity	'='	96	%
P27448	BXGT009183	MAP/microtubule affinity-regulating kinase 3	reviewed	Kinase	MARK3	Activity	'='	131	%
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	'='	49	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00823	Fruits		Fruits
BXGF01008	Peganum harmala	Peganum harmala	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}