e-Drug3D
1489
cas 154229-19-3
CLASS
ANTINEOPLASTIC
METASTATIC CASTRATION-RESISTANT PROSTATE CANCER
INHIBITOR OF CYP17
ROUTE (list)
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PK parameters
VD 19.6 LITER
Cl 1.1 LITER / HOUR (EQN)
PPB 99 PERCENT
t1/2 12 HOUR
TARGET 17 ALPHA-HYDROXYLASE/C17,20-LYASE (CYP17)
PDB
4NKV (HUMAN STEROIDOGENIC CYTOCHROME P450 17A1 MUTANT A105L WITH INHIBITOR ABIRATERONE)
Ligand code = AER (link to the list of PDB complexes)
Download experimental 3D coordinates of AER with added hydrogens
Steroid 17-alpha-hydroxylase,17,20 lyase UNIPROT P05093 CYP17A1
Formula:
C24H31NO
Calculated chemical properties:
MW 349.50
NB_atoms 26
XLogP 5.40
PSA 31.58
NB_HD 1
NB_HA 2
fsp3 0.62
Lipinski(0=no;1=yes) 0
NB_atoms 26
XLogP 5.40
PSA 31.58
NB_HD 1
NB_HA 2
fsp3 0.62
Lipinski(0=no;1=yes) 0
FDA
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