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
DEOXYCHOLIC ACID

DEOXYCHOLIC ACIDNATURAL MOLECULE (link)


ATC D11AX24

DERMATOLOGICAL
CYTOLYTIC DRUG
DESTROYS THE CELL MEMBRANE CAUSING LYSIS
TREATMENT OF MODERATE TO SEVERE CONVEXITY OR FULLNESS ASSOCIATED WITH SUBMENTAL FAT

SUBCUTANEOUS

Cmax 2.6 MICROMOLAR

Tmax 0.3 HOUR

PPB 98 PERCENT

PDB OBSOLETE (- 1WB2 CRYSTAL STRUCTURE OF TRANSLATION ELONGATION FACTOR SELB FROM METHANOCOCCUS MARIPALUDIS, APO FORM)

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

Download experimental 3D coordinates of DXC with added hydrogens

CELL MEMBRANE DISRUPTING AGENT CHEMBL3390826 CELL MEMBRANE HOMO SAPIENSANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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