Cheminformatic Tools and Databases for Pharmacology

session 84716 - Total of 1 hits - Display   hits per page:

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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
METHOXSALEN

METHOXSALENNATURAL MOLECULE (link)


ATC D05AD02
ATC D05BA02

ANTINEOPLASTIC AGENTS
DERMATOLOGICALS
PUVA TREATMENT
CROSS-LINKING REAGENTS
PHOTOSENSITIZING AGENTS
PIGMENTING AGENTS
PHOTOACTIVE SUBSTANCE FOUND IN THE SEEDS OF THE AMMI MAJUS (UMBELLIFERAE) PLANT AND IN THE ROOTS OF HERACLEUM CANDICANS
TREATMENT OF PSORIASIS

ORAL TOPICAL INJECTION

Cmax 1.15 MICROMOLAR (PMID3512141)

Tmax 1.8 HOUR

VD 325 LITER (65 KILOGRAM)

Cl 345 LITER / HOUR (PMID3512141)

HT 2 HOUR

DNA

PDB 1Z11 (CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 2A6 WITH METHOXSALEN BOUND)

LIGAND CODE = 8MO (link to the list of PDB complexes)

Download experimental 3D coordinates of 8MO with added hydrogens

DNA INHIBITOR CHEMBL2311221 DNA HOMO SAPIENSANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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