Cheminformatic Tools and Databases for Pharmacology

session 8398 - 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
PRALSETINIB

PRALSETINIB


ATC L01EX23

ANTINEOPLASTIC
RET PROTEIN TYROSINE KINASE INHIBITOR
TREATMENT OF NON-SMALL CELL LUNG CANCER (NSCLC)
INHIBITS DDR1
RKC
FLT3
JAK1-2
TRKA
VEGFR2
PDGFRB
FGFR1

ORAL

Cmax 5.3 MICROMOLAR

Tmax 3 HOUR

VD 228 LITER

PPB 97.1 PERCENT

Cl 9.1 LITER / HOUR

HT 14.7 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER (LESS THAN 0.001 MILLIGRAM PER MILLILITER)

RET PROTEIN TYROSINE KINASE (IC50 LESS THAN 0.5 NANOMOLAR)

PDB 7JU5 (STRUCTURE OF RET PROTEIN TYROSINE KINASE IN COMPLEX WITH PRALSETINIB)

LIGAND CODE = Q4J (link to the list of PDB complexes)

Download experimental 3D coordinates of Q4J with added hydrogens

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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