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
DAPSONE

DAPSONE


ATC J04BA02
ATC D10AX05

ANTIINFECTIVES
ANTIMALARIALS
ANTIMYCOBACTERIALS
FOLIC ACID ANTAGONISTS
LEPROSTATIC AGENTS
ANTI-ACNE
ANTI-FOLATE

TOPICAL ORAL

VD 54 LITER (65 KILOGRAM)

PPB 75 PERCENT

Cl 1.8 LITER / HOUR (65 KILOGRAM)

HT 22 HOUR

DIHYDROFOLATE REDUCTASE
DIHYDROPTEROATE SYNTHASE

DIHYDROPTEROATE SYNTHASE 1 INHIBITOR CHEMBL2362993 DIHYDROPTEROATE SYNTHASE 1 P0C0X1 DIHYDROPTEROATE SYNTHASE 1 MYCOBACTERIUM LEPRAE (STRAIN TN) ENZYME TRANSFERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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