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
TOREMIFENE

TOREMIFENE


ATC L02BA02

ANTINEOPLASTIC
ANTIESTROGENIC
METASTATIC BREAST CANCER
BONE DENSITY CONSERVATION AGENTS
ESTROGEN RECEPTOR ANTAGONIST OR AGONIST

ORAL

VD 580 LITER

PPB 99.5 PERCENT

Cl 5 LITER / HOUR

HT 120 HOUR

SOLUBILITY 0.63 MILLIGRAM / MILLILITER

ESTROGEN RECEPTOR

PDB 5JQ7 (CRYSTAL STRUCTURE OF EBOLA GLYCOPROTEIN IN COMPLEX WITH TOREMIFENE)

LIGAND CODE = T0R (link to the list of PDB complexes)

Download experimental 3D coordinates of T0R with added hydrogens

ESTROGEN RECEPTOR MODULATOR CHEMBL2093866 ESTROGEN RECEPTOR P03372 ESTROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3A NR3A1ANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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