Details of the Drug

General Information of Drug (ID: DMY6NIT)

Drug Name

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

Synonyms

CHEMBL42557; 2-Phenyl-3-piperidin-3-yl-1H-indole; 2-phenyl-3-(3-piperidinyl)-1H-Indole; SCHEMBL8525019; BDBM50099262; AKOS022450446; 3-(3-Piperidinyl)-2-phenyl-1H-indole; 244086-74-6; 3-(Piperidin-3-yl)-2-phenyl-1H-indole; DA-07759

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

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-3-yl-1H-indole
Canonical SMILES: C1CC(CNC1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1S/C19H20N2/c1-2-7-14(8-3-1)19-18(15-9-6-12-20-13-15)16-10-4-5-11-17(16)21-19/h1-5,7-8,10-11,15,20-21H,6,9,12-13H2
InChIKey: FYHCOUIJWCQUMZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9795587
TTD ID: D0RC9T

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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

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.