Cheminformatic Tools and Databases for Pharmacology

session 17461 - Total of 1 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
TALAZOPARIB

TALAZOPARIB


ATC L01XK04

ANTINEOPLASTIC
INHIBITOR OF POLYADENOSINE 5’-DIPHOSPHORIBOSE POLYMERASE (PARP) PARP1 AND PARP2

ORAL

Cmax 43 NANOMOLAR

Tmax 1.5 HOUR

VD 420 LITER

PPB 74 PERCENT

Cl 6.45 LITER / HOUR

HT 90 HOUR

POLYADENOSINE 5-DIPHOSPHORIBOSE POLYMERASE (PARP)

PDB 4UND (HUMAN ARTD1 (PARP1))

LIGAND CODE = 2YQ (link to the list of PDB complexes)

Download experimental 3D coordinates of 2YQ with added hydrogens

Poly ADP-ribose polymerase 1 UNIPROT P09874 PARP1 -- Poly ADP-ribose polymerase 2 UNIPROT Q9UGN5 PARP2

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |