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
PROMETHAZINE

PROMETHAZINE


ATC V03AB05
ATC D04AA10
ATC R06AD02
ATC R06AD52

RESPIRATORY
ANTIHISTAMINIC
ANTI-ALLERGIC AGENTS
ANTIPRURITICS
HISTAMINE H1 ANTAGONISTS
PHENOTHIAZINE DERIVATIVES
SEDATIVES
ANTIEMETIC

ORAL INJECTION RECTAL

VD 910 LITER (65 KILOGRAM)

PPB 91 PERCENT

Cl 54 LITER / HOUR (65 KILOGRAM)

HT 14 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

HISTAMINE H1 RECEPTOR

PDB 7MQU (THE HADDOCK MODEL OF GDP KRAS IN COMPLEX WITH PROMETHAZINE USING NMR CHEMICAL SHIFT PERTURBATIONS)

LIGAND CODE = ZM7 (link to the list of PDB complexes)

Download experimental 3D coordinates of ZM7 with added hydrogens

Histamine H1 receptor UNIPROT P35367 HRH1

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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