Details of the Drug

General Information of Drug (ID: DM4UD8C)

Drug Name
3-(1-Methyl-piperidin-3-yl)-2-phenyl-1H-indole
Synonyms CHEMBL43819; 3-(1-Methyl-piperidin-3-yl)-2-phenyl-1H-indole; SCHEMBL8525408; BDBM50099264; 3-(1-methylpiperidin-3-yl)-2-phenyl-1H-indole
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) 290.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C20H22N2
IUPAC Name
3-(1-methylpiperidin-3-yl)-2-phenyl-1H-indole
Canonical SMILES
CN1CCCC(C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2/c1-22-13-7-10-16(14-22)19-17-11-5-6-12-18(17)21-20(19)15-8-3-2-4-9-15/h2-6,8-9,11-12,16,21H,7,10,13-14H2,1H3
InChIKey
JRFXDRYERZNJFJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9838960
ChEBI ID
CHEMBL43819
TTD ID
D07ETF
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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) 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.