acompound

Showing entry for Methyl indole-3-carboxylate

General Compound Information
BXGC Id	BXGC0017613
Compound Name	Methyl indole-3-carboxylate
Structure
Formula	C10H9NO2
InchiKey	QXAUTQFAWKKNLM-UHFFFAOYSA-N
SMILES	COC(=O)c1c[nH]c2c1cccc2
Inchi	InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
IUPAC	methyl 1H-indole-3-carboxylate
Molecular Weight	175.06
Pubchem Id	589098
Chembl Id	CHEMBL2270066

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

C2Y

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
Q92793	BXGT019374	CREB-binding protein	reviewed	CREBBP	-	-	99000	-	-

Binding DB

n.a

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

CHEMBL

CHEMBL2270066

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
O60885	BXGT004906	Bromodomain-containing protein 4	reviewed	Epigenetic regulator	BRD4	IC50	'>'	100000	nM
Q92793	BXGT019374	CREB-binding protein	reviewed	-	CREBBP	Inhibition	-	-	-
Q92793	BXGT019374	CREB-binding protein	reviewed	-	CREBBP	IC50	'='	99000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00292	Butternut squash	Cucurbita moschata	Gourds
BXGF01070	Himalaiella deltoidea	Himalaiella deltoidea	Others
BXGF01222	Ocimum tenuiflorum	Ocimum tenuiflorum	Medicinal Plant
BXGF01374	Balanops australiana	Balanops australiana	Others
BXGF01832	Dalbergia ecastaphyllum	Dalbergia ecastaphyllum	Medicinal Plant
BXGF02221	Phlojodicarpus sibiricus	Phlojodicarpus sibiricus	Medicinal Plant
BXGF02397	Pithecellobium racemosum	Pithecellobium racemosum	Others
BXGF02505	Pinus sylvestris	Pinus sylvestris	Medicinal Plant
BXGF02802	Araiostegiella perdurans	Araiostegiella perdurans	Others
BXGF02859	Bulbinella floribunda	Bulbinella floribunda	Others
BXGF03117	Myoporum platycarpum	Myoporum platycarpum	Medicinal Plant
BXGF03300	Blumea eriantha	Blumea eriantha	Medicinal Plant
BXGF03374	Cipadessa fruticosa	Cipadessa fruticosa	Others
BXGF03476	Hylocomium splendens	Hylocomium splendens	Others
BXGF03649	Palaquium canaliculatum	Palaquium canaliculatum	Others
BXGF03665	Physalis sordida	Physalis sordida	Others
BXGF03763	Millettia laurentii	Millettia laurentii	Medicinal Plant
BXGF03765	Alcea rosea	Alcea rosea	Medicinal Plant
BXGF03785	Taxus drupacea	Taxus drupacea	Others
BXGF03803	Ilex brevicuspis	Ilex brevicuspis	Human Edible Plant
BXGF03831	Acrisione denticulata	Acrisione denticulata	Others
BXGF03845	Senecio heliopsis	Senecio heliopsis	Others
BXGF03851	Berberis orthobotrys	Berberis orthobotrys	Medicinal Plant
BXGF03871	Codium dwarkense	Codium dwarkense	Others
BXGF03878	Achillea biebersteinii	Achillea biebersteinii	Medicinal Plant
BXGF03904	Euphorbia formosana	Euphorbia formosana	Others
BXGF03912	Diplazium esculentum	Diplazium esculentum	Medicinal Plant
BXGF03944	Ongokea gore	Ongokea gore	Medicinal Plant
BXGF03946	Sanicula epipactis	Sanicula epipactis	Others
BXGF03958	Euonymus laxiflorus	Euonymus laxiflorus	Others
BXGF03989	Scopolia atropoides	Scopolia atropoides	Others
BXGF04005	Caryocar villosum	Caryocar villosum	Medicinal Plant
BXGF04013	Ocimum gratissimum	Ocimum gratissimum	Medicinal Plant
BXGF04019	Glochidion philippicum	Glochidion philippicum	Others
BXGF04024	Ceriops decandra	Ceriops decandra	Medicinal Plant
BXGF04027	Solidago petiolaris	Solidago petiolaris	Others
BXGF04034	Zaluzania grayana	Zaluzania grayana	Others
BXGF04052	Zanthoxylum acutifolium	Zanthoxylum acutifolium	Medicinal Plant
BXGF04071	Archidendron ellipticum	Archidendron ellipticum	Others
BXGF04082	Tabernaemontana divaricata	Tabernaemontana divaricata	Medicinal Plant
BXGF04349	Monodora tenuifolia	Monodora tenuifolia	Human Edible Plant
BXGF04428	Baccharis dracunculifolia	Baccharis dracunculifolia	Medicinal Plant
BXGF04896	Kokoona reflexa	Kokoona reflexa	Others
BXGF05083	Viguiera decurrens	Viguiera decurrens	Medicinal Plant
BXGF05145	Sideritis brevibracteata	Sideritis brevibracteata	Human Edible Plant
BXGF05184	Maesa ramentacea	Maesa ramentacea	Medicinal Plant
BXGF05242	Euphorbia cornigera	Euphorbia cornigera	Others
BXGF05368	Salvia yosgadensis	Salvia yosgadensis	Others
BXGF05428	Sideroxylon cubense	Sideroxylon cubense	Others
BXGF05654	Pinus strobus	Pinus strobus	Medicinal Plant
BXGF05730	Alpinia blepharocalyx	Alpinia blepharocalyx	Medicinal Plant
BXGF05764	Eucalyptus jenseni	Eucalyptus jenseni	Others
BXGF05869	Salacia lehmbachii	Salacia lehmbachii	Medicinal Plant
BXGF05954	Pluchea odorata	Pluchea odorata	Others
BXGF06033	Euonymus tingens	Euonymus tingens	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}