Details of the Drug

General Information of Drug (ID: DMMI0UC)

Drug Name

3-(thiophen-3-yl)-1H-indol-6-amine

Synonyms

CHEMBL206475; 3-(thiophen-3-yl)-1H-indol-6-amine; SCHEMBL20561548

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)

214.29

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H10N2S
IUPAC Name: 3-thiophen-3-yl-1H-indol-6-amine
Canonical SMILES: C1=CC2=C(C=C1N)NC=C2C3=CSC=C3
InChI: InChI=1S/C12H10N2S/c13-9-1-2-10-11(6-14-12(10)5-9)8-3-4-15-7-8/h1-7,14H,13H2
InChIKey: QEKXSCXVUJXAFF-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.