e-Drug3D

2113

IPTACOPAN

INN
IPTACOPAN

cas 1644670-37-0

CLASS

IMMUNOSUPPRESSANTS
A COMPLEMENT FACTOR B INHIBITOR
TREATMENT OF PAROXYSMAL NOCTURNAL HEMOGLOBINURIA (PNH)

ROUTE (list)

ORAL

ATC code

L04AJ08

PK parameters

Tmax 2 HOUR
VD 288 LITER
Cl 7.96 LITER / HOUR
PPB 84 PERCENT
t1/2 25 HOUR

Target

TARGET COMPLEMENT FACTOR B

PDB
6RAV (COMPLEMENT FACTOR B PROTEASE DOMAIN IN COMPLEX WITH THE REVERSIBLE INHIBITOR 4-((2S,4S)-4-ETHOXY-1-((5-METHOXY-7-METHYL-1H-INDOL-4-YL)METHYL)PIPERIDIN-2-YL)BENZOIC ACID)

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

Download experimental 3D coordinates of JGQ with added hydrogens

DrugCentral

Complement factor B UNIPROT P00751

Download SDF file

Benzoic acid, 4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl]- (ACI)

Formula:
C25H30N2O4

Calculated chemical properties:

MW 421.50
NB_atoms 31
XLogP 3.59
PSA 71.163
NB_HD 1
NB_HA 6
fsp3 0.40
Lipinski(0=no;1=yes) 1

FDA
NDA 218276 (label) INN (IPTACOPAN HYDROCHLORIDE) FABHALTA (NOVARTIS) APPROVAL= AP YEAR= 2023 NEWMOLECULARENTITY