Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| August 17th, 2007 |
33 |
Yes
|
Other Names:
(R)-N3-(2,6-Dimethoxy-4-methyl-5-(3-trifluoromethyl)phenoxy)quinolin-8-yl)pentane-1,4-diamine; (RS)-N(sup 3)-(2,6-Dimethoxy-4-methyl-5-(3-trifluoro-methylphenoxy)quinolin-8-yl)pentane-1,4-diamine; 1,4-Pentanediamine, N4-(2,6-dimethoxy-4-methyl-5-(3-(trifl
Butanedioic acid, compd. with N(sup 4)-(2,6-dimethoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)-8-quinolinyl)-1,4-pentanediamine (1:1); C24H28F3N3O3.C4H6O4; LS-45733; WR 238605; WR238605 succinate; tafenoquine maleate
Etaquine
INN
INN)
SB-252263
SB-252263AAB; WR-238605; SB-252263AX
Tafenoquine (BAN
Tafenoquine succinate
USAN); Tafenoquine Succinate (USAN)
WR-238605
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
5.54 |
7.26 |
-51.87 |
4 |
6 |
1 |
80 |
464.508 |
10 |
↓
|
|
Lo
Low (pH 4.5-6)
|
5.54 |
7.98 |
-98.86 |
5 |
6 |
2 |
82 |
465.516 |
10 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
Z50460-3-O |
Leishmania Major (cluster #3 Of 4), Other |
Other |
5490 |
0.22 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.
