Cheminformatic Tools and Databases for Pharmacology

session 2913 - Total of 1 hits - Display   hits per page:

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
NIRAPARIB

NIRAPARIB


ATC L01XX54

ANTINEOPLASTIC
TREATMENT OF RECURRENT EPITHELIAL OVARIAN, FALLOPIAN TUBE, OR PRIMARY PERITONEAL CANCER
POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITOR

ORAL

Cmax 2.51 MICROMOLAR

Tmax 3 HOUR

F 73 PERCENT

VD 1220 LITER

PPB 83 PERCENT

Cl 16.2 LITER / HOUR

HT 36 HOUR

SOLUBILITY AQUEOUS OF 0.7 MG/ML TO 1.1 MG/ML ACROSS THE PHYSIOLOGICAL PH RANGE

POLY(ADP-RIBOSE) POLYMERASE (PARP)
PARP-1
PARP-2

PDB 4R6E (HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR NIRAPARIB)

LIGAND CODE = 3JD (link to the list of PDB complexes)

Download experimental 3D coordinates of 3JD with added hydrogens

ENZYME PARP1_HUMAN INHIBITOR P09874 PARP2_HUMAN INHIBITOR Q9UGN5EMA

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