Details of the Drug

General Information of Drug (ID: DMK8LHB)

Drug Name

3-(1-Methyl-piperidin-2-yl)-2-phenyl-1H-indole

Synonyms

CHEMBL43697; 3-(1-Methyl-piperidin-2-yl)-2-phenyl-1H-indole; BDBM50099263

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)

290.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C20H22N2
IUPAC Name: 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole
Canonical SMILES: CN1CCCCC1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1S/C20H22N2/c1-22-14-8-7-13-18(22)19-16-11-5-6-12-17(16)21-20(19)15-9-3-2-4-10-15/h2-6,9-12,18,21H,7-8,13-14H2,1H3
InChIKey: YKKPUIDGSXNPRO-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	3-(4-Fluoropiperidin-3-yl)-2-phenylindoles as high affinity, selective, and orally bioavailable h5-HT(2A) receptor antagonists. J Med Chem. 2001 May 10;44(10):1603-14.