Cheminformatic Tools and Databases for Pharmacology

session 62756 - 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
CYCLOGUANIL (is an active metabolite)

CYCLOGUANIL


ATC P01BB01
ATC P01BB51
ATC P01BB02

ANTIPARASITIC
ANTIMALARIAL
ANTIMETABOLITES
DIHYDROFOLATE REDUCTASE INHIBITOR

-

Tmax 5 HOUR

HT 19 HOUR

DIHYDROFOLATE REDUCTASE

PDB 3UM8 (WILD-TYPE PLASMODIUM FALCIPARUM DHFR-TS COMPLEXED WITH CYCLOGUANIL AND NADPH)

LIGAND CODE = 1CY (link to the list of PDB complexes)

Download experimental 3D coordinates of 1CY with added hydrogens

DIHYDROFOLATE REDUCTASE INHIBITOR CHEMBL1939 DIHYDROFOLATE REDUCTASE P13922 BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE PLASMODIUM FALCIPARUM K1 ENZYME REDUCTASEANSM (in French)

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ChEMBL
BindingDB
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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
PROGUANIL (has an active metabolite)

PROGUANIL


ATC P01BB01
ATC P01BB51

ANTIPARASITIC
ANTIMALARIAL
ANTIMETABOLITES
DIHYDROFOLATE REDUCTASE INHIBITOR

ORAL

Tmax 3.5 HOUR

VD 2059 LITER

PPB 75 PERCENT

Cl 67.9 LITER / HOUR

HT 16.5 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

DIHYDROFOLATE REDUCTASE

DIHYDROFOLATE REDUCTASE INHIBITOR CHEMBL1939 DIHYDROFOLATE REDUCTASE P13922 BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE PLASMODIUM FALCIPARUM K1 ENZYME REDUCTASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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