Details of the Drug

General Information of Drug (ID: DM7DTRM)

Drug Name

1-methoxy-3-(3-(pyridin-4-yl)-1H-indol-6-yl)urea

Synonyms

CHEMBL205218; 1-methoxy-3-(3-(pyridin-4-yl)-1H-indol-6-yl)urea

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)

282.3

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H14N4O2
IUPAC Name: 1-methoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea
Canonical SMILES: CONC(=O)NC1=CC2=C(C=C1)C(=CN2)C3=CC=NC=C3
InChI: InChI=1S/C15H14N4O2/c1-21-19-15(20)18-11-2-3-12-13(9-17-14(12)8-11)10-4-6-16-7-5-10/h2-9,17H,1H3,(H2,18,19,20)
InChIKey: XYNMCCVGHHUPIU-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.