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
TIOPRONIN

TIOPRONIN


ATC R05CB12
ATC G04BX16

RESPIRATORY
MUCOLYTIC
EXPECTORANT
USED TO CONTROL THE RATE OF CYSTINE PRECIPITATION AND EXCRETION IN THE DISEASE CYSTINURIA

ORAL

Cmax 61.9 MICROMOLAR

Tmax 3 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

PDB 5A5Z (APPROVED DRUGS CONTAINING THIOLS AS INHIBITORS OF METALLO-BETA- LACTAMASES: STRATEGY TO COMBAT MULTIDRUG-RESISTANT BACTERIA)

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

Download experimental 3D coordinates of WJZ with added hydrogens

REDUCING AGENTEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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