Compound - Results

Chinin

Java required.


Information Structure
Name Chinin
Synonyms
(-)-Quinine
(8-alpha,9R)-6-Methoxycinchonan-9-ol
(8S,9R)-Quinine
2-Quinuclidinemethanol, Alpha-(6-methoxy-4-quinolyl)-5-vinyl-
6-Methoxycinchonine
CCRIS 5755
Chinin
Chinine
Cinchonan-9-ol, 6-methoxy-, (8alpha,9R)-
EINECS 205-003-2
HSDB 2501
NSC 192949
Quinine
Quinine Anhydrous
ATC C05AE01
P01BC01
M09AA02
CID 441073
CAS 000130950
SMILES COC1=CC2=C(C=CN=C2C=C1)[C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C
Formula C20H24N2O2
Molweight 324.417
Atoms 28
LogP 3.1111
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A1Inhibitor Inducer 12451431
9088578
1A2Substrate Inhibitor Inducer 9088578
umm
11765139
12451431
2C8Inhibitor 11136296
2C9Inhibitor 9088578
2C19Substrate Inhibitor umm
8968357
9088578
9088578
2D6Inhibitor 9088578
10460802
1857341
3A4Substrate Inhibitor Inducer 12433805
9088578
9456308
10381752
12743670
12433805
10579472
12920491
9088578
3A5Substrate medicine.iupui.edu/flockhart
3A7Substrate medicine.iupui.edu/flockhart
Phase2 interactions
NameReferences
GST 11807801
Transporter
AC-No.NameReferences
Q86UG4CT48 11807801
Extrarenal fraction 0.85
Elimination half-life 8h
Mefloquine

Java required.


Information Structure
Name Mefloquine
Synonyms
(DL-erythro-alpha-2-Piperidyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
HSDB 6853
Lariam
Mefloquin
Mefloquina
Mefloquine
Mefloquinum
Mephaquin
Racemic Mefloquine
Ro 21-5998
WR 142490
ATC P01BC02
CID 456309
CAS 053230107
SMILES O[C@H]([C@H]1CCCCN1)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
Formula C17H16F6N2O
Molweight 378.312
Atoms 28
LogP 4.7767
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 9
CYP interactions
NameRelationsReferences
2D6Inhibitor umm
3A4Substrate Inhibitor 11092571
umm
1510705
10834303
19AInhibitor 3258046
Transporter
AC-No.NameReferences
Q86UG4CT48 11807801
Extrarenal fraction 0.9
Elimination half-life 500h