Showing entry for Harmalan


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000651
Compound NameHarmalan
Structure
FormulaC12H12N2
InchiKeyCWOYLIJQLSNRRN-UHFFFAOYSA-N
SMILESCC1=NCCC2=C1NC1=C2C=CC=C1
InchiInChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
IUPAC1-methyl-3H,4H,9H-pyrido[3,4-b]indole
Molecular Weight184.24
Pubchem Id160510
Chembl IdCHEMBL295234
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 50136493
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 BXGT009540 Metabotropic glutamate receptor 3 reviewed Grm3 >10000 - - -
reviewed BXGT022235 Nischarin reviewed Enzyme modulator NISCH 46 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 >10000 - - -
reviewed BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 >10000 - - -
reviewed BXGT022235 Nischarin reviewed Enzyme modulator NISCH 148 - - -
reviewed BXGT009238 5-hydroxytryptamine receptor 1B reviewed G-protein coupled receptor HTR1B >10000 - - -
reviewed BXGT010594 5-hydroxytryptamine receptor 5A reviewed G-protein coupled receptor HTR5A 845 - - -
reviewed BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 >10000 - - -
reviewed BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 >10000 - - -
reviewed BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A >1670 - - -
reviewed BXGT009237 5-hydroxytryptamine receptor 1D reviewed G-protein coupled receptor HTR1D >10000 - - -
reviewed BXGT009214 Sodium-dependent dopamine transporter reviewed SLC6A3 >10000 - - -
reviewed BXGT010796 5-hydroxytryptamine receptor 6 reviewed G-protein coupled receptor HTR6 1450 - - -
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a 1150 - - -
reviewed BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C 1860 - - -
reviewed BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 280 - - -
CHEMBL CHEMBL295234
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
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Ki '>' 1670 nM
Q8WXA8 BXGT019008 5-hydroxytryptamine receptor 3C reviewed Ion channel HTR3C Ki '>' 10000 nM
Q70Z44 BXGT016686 5-hydroxytryptamine receptor 3D reviewed Ion channel HTR3D Ki '>' 10000 nM
O95264 BXGT005367 5-hydroxytryptamine receptor 3B reviewed Ion channel HTR3B Ki '>' 10000 nM
A5X5Y0 BXGT001376 5-hydroxytryptamine receptor 3E reviewed Ion channel HTR3E Ki '>' 10000 nM
P46098 BXGT010507 5-hydroxytryptamine receptor 3A reviewed Ion channel HTR3A Ki '>' 10000 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '>' 10000 nM
P21917 BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 Ki '>' 10000 nM
P21918 BXGT008708 D(1B) dopamine receptor reviewed G-protein coupled receptor DRD5 Ki '>' 10000 nM
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Ki '>' 10000 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '>' 10000 nM
P18089 BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B Ki - - -
P34969 BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 Ki '=' 280 nM
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 Ki - - -
Q9Y2I1 BXGT022235 Nischarin reviewed Enzyme modulator NISCH Ki '=' 46 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 79432 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 501 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 63095 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 63095 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 EC50 '=' 2770 nM
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A Ki - - -
P47898 BXGT010594 5-hydroxytryptamine receptor 5A reviewed G-protein coupled receptor HTR5A Ki '=' 845 nM
P50406 BXGT010796 5-hydroxytryptamine receptor 6 reviewed G-protein coupled receptor HTR6 Ki '=' 1450 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 44668 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 35481 nM
P80244 BXGT011887 ATP-dependent Clp protease proteolytic subunit reviewed - clpP Potency - 15848 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 6309 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Ki - - -
Q9Y2I1 BXGT022235 Nischarin reviewed Enzyme modulator NISCH Ki '=' 148 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 28183 nM
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Ki '>' 10000 nM
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki '>' 10000 nM
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 Ki '>' 10000 nM
P08173 BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 Ki '>' 10000 nM
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 Ki '>' 10000 nM
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C Ki '=' 1860 nM
Q9ES14 BXGT020314 Gamma-aminobutyric acid receptor subunit epsilon reviewed - Gabre Ki '>' 10000 nM
Q91ZM7 BXGT019327 GABA theta subunit unreviewed - Gabrq Ki '>' 10000 nM
P63138 BXGT011502 Gamma-aminobutyric acid receptor subunit beta-2 reviewed - Gabrb2 Ki '>' 10000 nM
P63079 BXGT011491 Gamma-aminobutyric acid receptor subunit beta-3 reviewed - Gabrb3 Ki '>' 10000 nM
P62813 BXGT011460 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed - Gabra1 Ki '>' 10000 nM
P30191 BXGT009410 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed - Gabra6 Ki '>' 10000 nM
P28473 BXGT009261 Gamma-aminobutyric acid receptor subunit gamma-3 reviewed - Gabrg3 Ki '>' 10000 nM
P28471 BXGT009259 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed - Gabra4 Ki '>' 10000 nM
P23576 BXGT008885 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed - Gabra2 Ki '>' 10000 nM
P23574 BXGT008884 Gamma-aminobutyric acid receptor subunit gamma-1 reviewed - Gabrg1 Ki '>' 10000 nM
P20236 BXGT008551 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed - Gabra3 Ki '>' 10000 nM
P19969 BXGT008536 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed - Gabra5 Ki '>' 10000 nM
P18508 BXGT008412 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed - Gabrg2 Ki '>' 10000 nM
P18506 BXGT008410 Gamma-aminobutyric acid receptor subunit delta reviewed - Gabrd Ki '>' 10000 nM
P15431 BXGT008122 Gamma-aminobutyric acid receptor subunit beta-1 reviewed - Gabrb1 Ki '>' 10000 nM
O09028 BXGT004049 Gamma-aminobutyric acid receptor subunit pi reviewed - Gabrp Ki '>' 10000 nM
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 Ki '>' 10000 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 19952 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Ki '=' 1150 nM
P28221 BXGT009237 5-hydroxytryptamine receptor 1D reviewed G-protein coupled receptor HTR1D Ki '>' 10000 nM
P35368 BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B Ki - - -
P23975 BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 Ki '>' 10000 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 50118 nM
P28222 BXGT009238 5-hydroxytryptamine receptor 1B reviewed G-protein coupled receptor HTR1B Ki '>' 10000 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C Ki - - -
P23385 BXGT008861 Metabotropic glutamate receptor 1 reviewed - Grm1 Ki '>' 10000 nM
P35400 BXGT009826 Metabotropic glutamate receptor 7 reviewed - Grm7 Ki '>' 10000 nM
P35349 BXGT009815 Metabotropic glutamate receptor 6 reviewed - Grm6 Ki '>' 10000 nM
P31422 BXGT009540 Metabotropic glutamate receptor 3 reviewed - Grm3 Ki '>' 10000 nM
P31421 BXGT009539 Metabotropic glutamate receptor 2 reviewed - Grm2 Ki '>' 10000 nM
P31423 BXGT009541 Metabotropic glutamate receptor 4 reviewed - Grm4 Ki '>' 10000 nM
P70579 BXGT011675 Metabotropic glutamate receptor 8 reviewed - Grm8 Ki '>' 10000 nM
P31424 BXGT009542 Metabotropic glutamate receptor 5 reviewed - Grm5 Ki '>' 10000 nM
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A Ki - - -
P27922 BXGT009214 Sodium-dependent dopamine transporter reviewed - SLC6A3 Ki '>' 10000 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 11582 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 11582 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 11582 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00823 Fruits Fruits
BXGF05158 Elaeagnus angustifolia Elaeagnus angustifolia 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