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

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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9	Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.