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
ETIDRONATE DISCONTINUED

ETIDRONATE


ATC M05BA01
ATC M05BB01

METABOLISM
BONE RESORPTION INHIBITOR
ANTIHYPOCALCEMIC AGENTS
BISPHOSPHONATES
OSTEOPOROSIS PROPHYLACTIC
IT CAN INHIBIT THE FORMATION GROWTH AND DISSOLUTION OF HYDROXYAPATITE CRYSTALS AND THEIR AMORPHOUS PRECURSORS BY CHEMISORPTION TO CALCIUM PHOSPHATE SURFACES

ORAL INJECTION

F 3 PERCENT

HT 3.5 HOUR

SOLUBILITY HIGHLY SOLUBLE IN WATER

FARNESYL PYROPHOSPHATE SYNTHASE

PDB 3SDV (STRUCTURE OF A THREE-DOMAIN SESQUITERPENE SYNTHASE: A PROSPECTIVE TARGET FOR ADVANCED BIOFUELS PRODUCTION)

LIGAND CODE = 911 (link to the list of PDB complexes)

Download experimental 3D coordinates of 911 with added hydrogens

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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