Details of the Drug

General Information of Drug (ID: DMXWYMH)

Drug Name
GNF-PF-4292
Synonyms
Hydrocinchonine; GNF-PF-4292; CHEMBL428695; Cinchotine; (8alpha,9R)-10,11-Dihydrocinchonan-9-ol; 485-64-3; Cinchonifine; Pseudocinchonine; y-Cinchonine; 10,11-dihydrocinchonan-9-ol; (9S)-10,11-Dihydrocinchonan-9-ol; 10,11-dihydrocinchonine; AC1Q4XW7; AC1L2RE5; Oprea1_425428; SCHEMBL312806; MolPort-003-871-861; WFJNHVWTKZUUTR-UHFFFAOYSA-N; BDBM50047001; NCGC00142479-01; AC-30196; ST056343; FT-0700733; (9S)-10,11-Dihydrocinchonan-9-ol, 9CI; (1R)(5-ethylquinuclidin-2-yl)-4-quinolylmethan-1-ol; Quinoline 4-(alpha-(7-ethyl-1,4-ethanopip
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) 296.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H24N2O
IUPAC Name
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
Canonical SMILES
CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
InChI
InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3
InChIKey
WFJNHVWTKZUUTR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
101711
CAS Number
485-64-3
TTD ID
D0FQ1Z

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Debrisoquine 4-hydroxylase (CYP2D6) TTVG215 CP2D6_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies. J Med Chem. 1993 Apr 30;36(9):1136-45.