Details of the Drug

General Information of Drug (ID: DMM9GOR)

Drug Name

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

Synonyms

CHEMBL383060

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)

287.15

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C14H11BrN2
IUPAC Name: 6-bromo-1-methyl-3-pyridin-4-ylindole
Canonical SMILES: CN1C=C(C2=C1C=C(C=C2)Br)C3=CC=NC=C3
InChI: InChI=1S/C14H11BrN2/c1-17-9-13(10-4-6-16-7-5-10)12-3-2-11(15)8-14(12)17/h2-9H,1H3
InChIKey: FSWMKLCDACNCRN-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.