Details of the Drug

General Information of Drug (ID: DMJKQ5I)

Drug Name

5-amino-3-(N-methylpiperidin-4-yl)-1H-indole

Synonyms

3-(1-methyl-4-piperidyl)indole-5-ylamine; CHEMBL521235; 3-(1-methylpiperidin-4-yl)-1h-indol-5-amine; 5-amino-3-(N-methylpiperidin-4-yl)-1H-indole; SCHEMBL427406; CTK6I2276; CKBJZDHVHHKARV-UHFFFAOYSA-N; BDBM50271135; AKOS024098950; 182564-38-1; 5-amino-3-(1-methylpiperidin-4-yl)-1H-indole; 3-(1-Methyl-4-piperidinyl)-5-amino-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)

229.32

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: C14H19N3
IUPAC Name: 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine
Canonical SMILES: CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)N
InChI: InChI=1S/C14H19N3/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7,15H2,1H3
InChIKey: CKBJZDHVHHKARV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11831220
TTD ID: D09AVG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1B receptor (HTR1B)	TTK8CXU	5HT1B_HUMAN	Inhibitor	[1]
5-HT 1D receptor (HTR1D)	TT6MSOK	5HT1D_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Designing selective, high affinity ligands of 5-HT1D receptor by covalent dimerization of 5-HT1F ligands derived from 4-fluoro-N-[3-(1-methyl-4-pip... J Med Chem. 2008 Jun 26;51(12):3609-16.