Details of the Drug

General Information of Drug (ID: DM8N54C)

Drug Name

2-methyl-3-(pyridin-4-yl)-1H-indole

Synonyms

CHEMBL207501; 2-methyl-3-(pyridin-4-yl)-1H-indole; ZINC36338566

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)

208.26

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C14H12N2
IUPAC Name: 2-methyl-3-pyridin-4-yl-1H-indole
Canonical SMILES: CC1=C(C2=CC=CC=C2N1)C3=CC=NC=C3
InChI: InChI=1S/C14H12N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-9,16H,1H3
InChIKey: NMPHKIHQOKMIKF-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.