Details of the Drug

General Information of Drug (ID: DMUKAH6)

Drug Name

1-methyl-1H-indole-3-carboxamide

Synonyms

1-methyl-1H-indole-3-carboxamide; 118959-44-7; 1H-Indole-3-carboxamide, 1-methyl-; 1-methylindole-3-carboxamide; CHEMBL382602; AC1LGL0W; ACMC-20mo37; MLS001049055; SCHEMBL2174829; CTK0F9691; DTXSID00356397; MolPort-002-560-820; UHQHFXKJFJHBAE-UHFFFAOYSA-N; HMS2271M13; ZINC341025; BDBM50427552; STK721948; AKOS009024585; MCULE-8790085472; AS-9399; SMR000386893; AJ-19941; KB-219182; FT-0721669

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)

174.2

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C10H10N2O
IUPAC Name: 1-methylindole-3-carboxamide
Canonical SMILES: CN1C=C(C2=CC=CC=C21)C(=O)N
InChI: InChI=1S/C10H10N2O/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H2,11,13)
InChIKey: UHQHFXKJFJHBAE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 823187
CAS Number: 118959-44-7
TTD ID: D00FPG

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)

MIA Detail

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.