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
M THIOGUANINE (is an active metabolite)

THIOGUANINE


ATC L01BB03

ANTINEOPLASTIC
ANTIMETABOLITES
TREATMENT OF ACUTE NONLYMPHOCYTIC LEUKEMIAS
THIOGUANINE IS INCORPORATED INTO THE DNA AND THE RNA OF HUMAN BONE MARROW CELLS
THIOGUANYLIC ACID IS FURTHER CONVERTED TO THE DI- AND TRI-PHOSPHATES

- IMP DEHYDROGENASE
GLUTAMINE-5-PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE

INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR CHEMBL2111369 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE (IMPDH) P12268 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE 2 HOMO SAPIENS ENZYME REDUCTASEANSM (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
THIOGUANINE (has an active metabolite)

THIOGUANINENATURAL MOLECULE (link)


NATURAL MOLECULE (link)


ATC L01BB03

ANTINEOPLASTIC
ANTIMETABOLITES
TREATMENT OF ACUTE NONLYMPHOCYTIC LEUKEMIAS
THIOGUANINE IS INCORPORATED INTO THE DNA AND THE RNA OF HUMAN BONE MARROW CELLS

ORAL

Cmax 118 MICROMOLAR

Tmax 8 HOUR

F 30 PERCENT

HT 5.9 HOUR

HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE (HGPRTASE)

INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR CHEMBL2111369 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE (IMPDH) P12268 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE 2 HOMO SAPIENS ENZYME REDUCTASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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