Cheminformatic Tools and Databases for Pharmacology

session 24304 - Total of 2 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
CLOFARABINE (has an active metabolite)

CLOFARABINE


ATC L01BB06

ANTINEOPLASTIC
ANTIMETABOLITES
PURINE ANALOGUES
INHIBITS DNA SYNTHESIS

INTRAVENOUS INJECTION

VD 276 LITER

PPB 47 PERCENT

Cl 46 LITER / HOUR

HT 5.2 HOUR

DEOXYCYTIDINE KINASE

PDB 2A7Q (CRYSTAL STRUCTURE OF HUMAN DCK COMPLEXED WITH CLOFARABINE AND ADP)

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

Download experimental 3D coordinates of CFB with added hydrogens

DNA INHIBITOR CHEMBL2311221 DNA P09884 DNA POLYMERASE ALPHA CATALYTIC SUBUNIT HOMO SAPIENS ENZYME TRANSFERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 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
M CLOFARABINE (is an active metabolite)

CLOFARABINE


ATC L01BB06

ANTINEOPLASTIC
ANTIMETABOLITES
PURINE ANALOGUES
INHIBITS DNA SYNTHESIS

- RIBONUCLEOTIDE REDUCTASE

DNA INHIBITOR CHEMBL2311221 DNA P09884 DNA POLYMERASE ALPHA CATALYTIC SUBUNIT HOMO SAPIENS ENZYME TRANSFERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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