Details of the Drug

General Information of Drug (ID: DMZARSD)

Drug Name

3-(pyridin-4-yl)-1H-indol-6-amine

Synonyms

3-(pyridin-4-yl)-1H-indol-6-amine; CHEMBL207612; 887615-80-7; CTK3A6374; DTXSID00658787; BDBM50182874; AKOS030619478; 1H-Indol-6-amine, 3-(4-pyridinyl)-

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)

209.25

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H11N3
IUPAC Name: 3-pyridin-4-yl-1H-indol-6-amine
Canonical SMILES: C1=CC2=C(C=C1N)NC=C2C3=CC=NC=C3
InChI: InChI=1S/C13H11N3/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-8,16H,14H2
InChIKey: NUDVKMUJCFEKEL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44410928
CAS Number: 887615-80-7
TTD ID: D0K4EM

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.