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
HYDRALAZINE

HYDRALAZINE


ATC C02DB02
ATC C02LG02

CARDIOVASCULAR
ANTIHYPERTENSIVE
VASODILATOR AGENTS
SELECTIVE DILATOR OF ARTERIAL SMOOTH MUSCLE
POLYPHARMACOLOGY

ORAL INJECTION

Cmax 583 NANOMOLAR (PMID24702251)

Tmax 2.5 HOUR

F 18 PERCENT

VD 143 LITER (65 KILOGRAM)

PPB 88 PERCENT

Cl 331.5 LITER / HOUR (65 KILOGRAM)

HT 1 HOUR

SOLUBILITY SOLUBLE IN WATER

PDB 3LTW (THE STRUCTURE OF MYCOBACTERIUM MARINUM ARYLAMINE N-ACETYLTRANSFERASE IN COMPLEX WITH HYDRALAZINE)

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

Download experimental 3D coordinates of HLZ with added hydrogens

RYANODINE RECEPTOR 2 Q92736 RYANODINE RECEPTOR 2 HOMO SAPIENS ION CHANNEL LGIC RYREMA

ANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
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