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
FLUDARABINE (is an active metabolite) (has an active metabolite)

FLUDARABINE


ATC L01BB05

ANTINEOPLASTIC
ANTIMETABOLITES
IMMUNOSUPPRESSIVE AGENTS
PHOSPHORYLATED BY DEOXYCYTIDINE KINASE TO THE ACTIVE TRIPHOSPHATE

-

Tmax 1.5 HOUR

F 57 PERCENT

VD 143 LITER (65 KILOGRAM)

PPB 24 PERCENT

Cl 12.4 LITER / HOUR (65 KILOGRAM)

HT 20 HOUR

DEOXYCYTIDINE KINASE

DNA POLYMERASE (ALPHA/DELTA/EPSILON) INHIBITOR CHEMBL2363042 DNA POLYMERASE (ALPHA/DELTA/EPSILON) 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
FLUDARABINE PHOSPHATE (has an active metabolite)

FLUDARABINE PHOSPHATE


ATC L01BB05

ANTINEOPLASTIC
ANTIMETABOLITES
IMMUNOSUPPRESSIVE AGENTS
RAPIDLY DEPHOSPHORYLATED INTO FLUDARABINE AND THEN PHOSPHORYLATED BY DEOXYCYTIDINE KINASE TO THE ACTIVE TRIPHOSPHATE

INJECTION ORAL DNA POLYMERASE ALPHA, GAMMA AND DELTA
RIBONUCLEOTIDE DIPHOSPHATE REDUCTASE
DNA PRIMASE
DNA LIGASE I

DNA POLYMERASE (ALPHA/DELTA/EPSILON) INHIBITOR CHEMBL2363042 DNA POLYMERASE (ALPHA/DELTA/EPSILON) 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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