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
VINBLASTINE

VINBLASTINE


ATC L01CA01

ANTINEOPLASTIC
ALKALOID EXTRACTED FROM VINCA ROSEA LINN
TUBULIN MODULATORS
INHIBITION OF MICROTUBULE FORMATION IN THE MITOTIC SPINDLE RESULTING IN AN ARREST OF DIVIDING CELLS AT THE METAPHASE STAGE

INJECTION

VD 1820 LITER (65 KILOGRAM)

PPB 86 PERCENT

Cl 12 LITER / HOUR (65 KILOGRAM)

HT 67 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

TUBULIN

PDB 4EB6 (TUBULIN-VINBLASTINE: STATHMIN-LIKE COMPLEX)

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

Download experimental 3D coordinates of VLB with added hydrogens

TUBULIN INHIBITOR CHEMBL2095182 TUBULIN P04350 TUBULIN BETA-4A CHAIN HOMO SAPIENS STRUCTURALANSM (in French)

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