Details of the Drug

General Information of Drug (ID: DMEXZQ5)

Drug Name

2-Phenyl-3-piperidin-4-yl-1H-indole

Synonyms

221109-26-8; 2-PHENYL-3-(PIPERIDIN-4-YL)-1H-INDOLE; 2-Phenyl-3-(4-piperidinyl)-1H-indole; 2-Phenyl-3-piperidin-4-yl-1H-indole; CHEMBL295559; SCHEMBL7962369; CTK4E8621; DTXSID60432328; FWPAVENSJPMGJO-UHFFFAOYSA-N; ZINC2580888; CP-220; ANW-46494; BDBM50095050; AKOS015898489; AJ-42917; 3-(Piperidin-4-yl)-2-phenyl-1H-indole; 1H-Indole,2-phenyl-3-(4-piperidinyl)-; TC-135239; ST2404535; KB-231980; AX8078102; W4568; FT-0707553; AM20030371; P13451

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)

276.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C19H20N2
IUPAC Name: 2-phenyl-3-piperidin-4-yl-1H-indole
Canonical SMILES: C1CNCCC1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1S/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2
InChIKey: FWPAVENSJPMGJO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9882067
CAS Number: 221109-26-8
TTD ID: D08CZT

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.