Details of the Drug

General Information of Drug (ID: DMVWX62)

Drug Name

6-bromo-3-(pyridin-4-yl)-1H-indole

Synonyms

CHEMBL206257; 6-bromo-3-(pyridin-4-yl)-1H-indole

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

273.13

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H9BrN2
IUPAC Name: 6-bromo-3-pyridin-4-yl-1H-indole
Canonical SMILES: C1=CC2=C(C=C1Br)NC=C2C3=CC=NC=C3
InChI: InChI=1S/C13H9BrN2/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-8,16H
InChIKey: KLYDZCDPTMADJL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)	TTTB4UP	IMDH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Low molecular weight indole fragments as IMPDH inhibitors. Bioorg Med Chem Lett. 2006 May 1;16(9):2535-8.