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
HYDROQUINONE

HYDROQUINONENATURAL MOLECULE (link)


ATC D11AX11

DERMATOLOGICAL
ANTIOXIDANT
DEPIGMENTOR
MAY INTERRUPT ONE OR MORE STEPS IN THE TYROSINE-TYROSINASE PATHWAY OF MELANIN SYNTHESIS

TOPICAL

Cmax 538.7 NANOMOLAR

SOLUBILITY FREELY SOLUBLE IN WATER

PDB 4QOP (STRUCTURE OF BACILLUS PUMILUS CATALASE WITH HYDROQUINONE BOUND.)

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

Download experimental 3D coordinates of HQE with added hydrogens

Carbonic anhydrase 14 Q9ULX7 (CAH14_HUMAN)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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