Details of the Drug

General Information of Drug (ID: DM3UBR5)

Drug Name

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

Synonyms

CHEMBL207621; 6-phenyl-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)

270.3

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C19H14N2
IUPAC Name: 6-phenyl-3-pyridin-4-yl-1H-indole
Canonical SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CN3)C4=CC=NC=C4
InChI: InChI=1S/C19H14N2/c1-2-4-14(5-3-1)16-6-7-17-18(13-21-19(17)12-16)15-8-10-20-11-9-15/h1-13,21H
InChIKey: QPUYBWAAFGEKSG-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	Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett. 2006 May 1;16(9):2539-42.