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]
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
ChEBI ID
CHEMBL295559
CAS Number
221109-26-8
TTD ID
D08CZT
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.