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
AMINOLEVULINIC ACID

AMINOLEVULINIC ACID


ATC L01XD04

ANTINEOPLASTIC
DERMATOLOGIC
CHEMOPHOTODYNAMIC
PHOTOSENSITIZING AGENTS
A PORPHYRIN PRECURSOR
TREATMENT OF MINIMALLY TO MODERATELY THICK ACTINIC KERATOSES OF THE FACE OR SCALP
MALIGNANT GLIOMA (DRUG FOR RARE DISEASE IN EUROPE)

TOPICAL ORAL

Cmax 35.5 MICROMOLAR

F 55 PERCENT

HT 0.7 HOUR

SOLUBILITY VERY SOLUBLE IN WATER

PDB 6HZP (CRYSTAL STRUCTURE OF A POT FAMILY TRANSPORTER IN COMPLEX WITH 5-AMINOLEVULINIC ACID)

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

Download experimental 3D coordinates of FVT with added hydrogens

Unknown

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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