Cheminformatic Tools and Databases for Pharmacology

session 3042 - 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
CHLORAMBUCIL

CHLORAMBUCIL


ATC L01AA02

ANTINEOPLASTIC
ALKYLATING

ORAL

Cmax 1.6 MICROMOLAR

Tmax 0.83 HOUR

VD 20.15 LITER (65 KILOGRAM)

PPB 99 PERCENT

Cl 10.9 LITER / HOUR (65 KILOGRAM)

HT 1.3 HOUR

DNA

PDB 3CSJ (HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH CHLORAMBUCIL)

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

Download experimental 3D coordinates of CBL with added hydrogens

DNA INHIBITOR CHEMBL2311221 DNA HOMO SAPIENSANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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