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
CERITINIB

CERITINIB


ATC L01XE28

ANTINEOPLASTIC
ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITOR
TREATMENT OF ANAPLASTIC LYMPHOMA KINASE (ALK)-POSITIVE METASTATIC NON-SMALL CELL LUNG CANCER (NSCLC)

ORAL

Tmax 5 HOUR

VD 4230 LITER

PPB 97 PERCENT

Cl 33.2 LITER / HOUR

HT 41 HOUR

ALK TYROSINE KINASE

PDB 4MKC (CRYSTAL STRUCTURE OF ANAPLASTIC LYMPHOMA KINASE COMPLEXED WITH LDK378)

LIGAND CODE = 4MK (link to the list of PDB complexes)

Download experimental 3D coordinates of 4MK with added hydrogens

ALK TYROSINE KINASE RECEPTOR INHIBITOR CHEMBL4247 ALK TYROSINE KINASE RECEPTOR Q9UM73 ALK TYROSINE KINASE RECEPTOR HOMO SAPIENS ENZYME KINASE PROTEIN KINASE TKL STKR TYPE1ANSM (in French)

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