e-Drug3D

2037

AVACOPAN

INN
AVACOPAN

cas 1346623-17-3

CLASS

IMMUNOSUPPRESSANTS
COMPLEMENT 5A RECEPTOR (C5AR) ANTAGONIST
TREATMENT OF PATIENTS WITH ANCA-ASSOCIATED VASCULITIS
BLOCKS C5A-INDUCED UPREGULATION OF CD11B ON NEUTROPHILS

ROUTE (list)

ORAL

ATC code

L04AJ05

PK parameters

Tmax 2 HOUR
VD 345 LITER
Cl 16.3 LITER / HOUR
PPB 99.9 PERCENT
t1/2 97.6 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET C5AR

PDB
6C1R (CRYSTAL STRUCTURE OF HUMAN C5A RECEPTOR IN COMPLEX WITH AN ORTHOSTERIC ANTAGONIST PMX53 AND AN ALLOSTERIC ANTAGONIST AVACOPAN)

Ligand code = EFD (link to the list of PDB complexes)

Download experimental 3D coordinates of EFD with added hydrogens

DrugCentral

C5a anaphylatoxin chemotactic receptor 1 UNIPROT P21730

Download SDF file

3-Piperidinecarboxamide, 2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-, (2R,3S)- (ACI)

Formula:
C33H35F4N3O2

Calculated chemical properties:

MW 581.64
NB_atoms 42
XLogP 8.05
PSA 47.225
NB_HD 2
NB_HA 5
fsp3 0.39
Lipinski(0=no;1=yes) 0

FDA
NDA 214487 (pdf not found) INN (AVACOPAN) TAVNEOS (CHEMOCENTRYX) APPROVAL= AP YEAR= 2021