Details of the Drug

General Information of Drug (ID: DM8TH2N)

Drug Name

3-(1-Phenethyl-piperidin-4-yl)-2-phenyl-1H-indole

Synonyms

CHEMBL40584; 3-(1-Phenethyl-piperidin-4-yl)-2-phenyl-1H-indole; SCHEMBL7948313; BDBM50095049; L018755; 3-(1-phenethylpiperidin-4-yl)-2-phenyl-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): 1

Molecular Weight (mw)

380.5

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C27H28N2
IUPAC Name: 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole
Canonical SMILES: C1CN(CCC1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)CCC5=CC=CC=C5
InChI: InChI=1S/C27H28N2/c1-3-9-21(10-4-1)15-18-29-19-16-22(17-20-29)26-24-13-7-8-14-25(24)28-27(26)23-11-5-2-6-12-23/h1-14,22,28H,15-20H2
InChIKey: MONKRYYJEIHBRU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10091189
TTD ID: D07GBV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	3-(4-Piperidinyl)- and 3-(8-aza-bicyclo[3.2.1]oct-3-yl)-2-phenyl-1H-indoles as bioavailable h5-HT2A antagonists. Bioorg Med Chem Lett. 2000 Dec 18;10(24):2701-3.
2	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.