Cheminformatic Tools and Databases for Pharmacology

session 31675 - 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
ENASIDENIB

ENASIDENIB


ATC L01XX59

ANTINEOPLASTIC
TREATMENT OF ACUTE MYELOID LEUKEMIA (AML) WITH AN ISOCITRATE DEHYDROGENASE-2 (IDH2) MUTATION
ISOCITRATE DEHYDROGENASE-2 (IDH2) INHIBITOR

ORAL

Cmax 27.4 MICROMOLAR

Tmax 4 HOUR

F 57 PERCENT

VD 55.8 LITER

PPB 98.5 PERCENT

Cl 0.74 LITER / HOUR

HT 137 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER (LESS THAN 74 MCG/ML)

ISOCITRATE DEHYDROGENASE-2 (IDH2)

PDB 5I96 (CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL ISOCITRATE DEHYDROGENASE (IDH2) R140Q MUTANT HOMODIMER IN COMPLEX WITH AG-221 (ENASIDENIB) INHIBITOR.)

LIGAND CODE = 69Q (link to the list of PDB complexes)

Download experimental 3D coordinates of 69Q with added hydrogens

Isocitrate dehydrogenase NADP, mitochondrial UNIPROT P48735 IDH2

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 |