Cheminformatic Tools and Databases for Pharmacology

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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
ERDAFITINIB

ERDAFITINIB


ATC L01EX16

ANTINEOPLASTIC
FGFR1, FGFR2, FGFR3 AND FGFR4 KINASE INHIBITOR
TREATMENT OF ADVANCED OR METASTATIC UROTHELIAL CARCINOMA
ALSO BINDS TO RET, CSF1R, PDGFRA, PDGFRB, FLT4, KIT AND VEGFR2

ORAL

Cmax 3.1 MICROMOLAR

Tmax 2.5 HOUR

VD 29 LITER

PPB 99.8 PERCENT

Cl 0.362 LITER / HOUR

HT 59 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

FGFR1
FGFR2
FGFR3
FGFR4

PDB 5EW8 (FIBROBLAST GROWTH FACTOR RECEPTOR 1 IN COMPLEX WITH JNJ-4275693)

LIGAND CODE = 5SF (link to the list of PDB complexes)

Download experimental 3D coordinates of 5SF with added hydrogens

Fibroblast growth factor receptor 1 P11362 (FGFR1_HUMAN)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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