e-Drug3D
1978
cas 88495-63-0
CLASS
ANTIINFECTIVES
ANTIMALARIAL
TREATMENT OF SEVERE MALARIA
SEMI-SYNTHETIC ARTEMISININ DERIVATIVE
RAPIDLY CONVERTED TO DHA BY BLOOD ESTERASES
ANTIPARASITIC
ROUTE (list)
INTRAVENOUS
PK parameters
VD 68.5 LITER
Cl 180 LITER / HOUR
PPB 93 PERCENT
t1/2 0.3 HOUR
-
PDB
6FGC (CRYSTAL STRUCTURE OF GEPHYRIN E DOMAIN IN COMPLEX WITH ARTESUNATE)
Ligand code = D95 (link to the list of PDB complexes)
Download experimental 3D coordinates of D95 with added hydrogens
Unknown
Formula:
C19H28O8
Calculated chemical properties:
MW 383.41
NB_atoms 27
XLogP 1.27
PSA 91.353
NB_HD 0
NB_HA 8
fsp3 0.89
Lipinski(0=no;1=yes) 1
NB_atoms 27
XLogP 1.27
PSA 91.353
NB_HD 0
NB_HA 8
fsp3 0.89
Lipinski(0=no;1=yes) 1
e-Drug3D
1092
cas 71939-50-9
CLASS
ANTIPARASITIC
ANTIMALARIALS
ARTEMISIN DERIVATIVE
ENDOPEROXIDE GROUP
ROUTE (list)
-
PK parameters
Tmax 2 HOUR
PPB 61 PERCENT
t1/2 2 HOUR
-
Unknown
Formula:
C15H24O5
Calculated chemical properties:
MW 284.34
NB_atoms 20
XLogP 2.19
PSA 58.013
NB_HD 1
NB_HA 5
fsp3 1.00
Lipinski(0=no;1=yes) 1
NB_atoms 20
XLogP 2.19
PSA 58.013
NB_HD 1
NB_HA 5
fsp3 1.00
Lipinski(0=no;1=yes) 1
FDA
-
-