Details of the Drug

General Information of Drug (ID: DMGDN93)

Drug Name

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

Synonyms

CHEMBL46523; 3-(1-Benzyl-piperidin-3-yl)-2-phenyl-1H-indole; SCHEMBL8524973; BDBM50099274

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): 1

Molecular Weight (mw)

366.5

Logarithm of the Partition Coefficient (xlogp)

5.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C26H26N2
IUPAC Name: 3-(1-benzylpiperidin-3-yl)-2-phenyl-1H-indole
Canonical SMILES: C1CC(CN(C1)CC2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5
InChI: InChI=1S/C26H26N2/c1-3-10-20(11-4-1)18-28-17-9-14-22(19-28)25-23-15-7-8-16-24(23)27-26(25)21-12-5-2-6-13-21/h1-8,10-13,15-16,22,27H,9,14,17-19H2
InChIKey: RXGPCIHYSMKIRI-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.