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 NELARABINE (is an active metabolite)

NELARABINE


ATC L01BB07

ANTINEOPLASTIC
TREATMENT OF PATIENTS WITH T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA AND T-CELL LYMPHOBLASTIC LYMPHOMA
FOR INCORPORATION INTO DE OXYRIBONUCLEIC ACID (DNA)

-

Cmax 86.5 MICROMOLAR

VD 80 LITER

PPB 25 PERCENT

Cl 16.9 LITER / HOUR

HT 3.2 HOUR

DNA

DNA POLYMERASE ALPHA CATALYTIC SUBUNIT 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
NELARABINE (has an active metabolite)

NELARABINE


ATC L01BB07

ANTINEOPLASTIC
PRODRUG
TREATMENT OF PATIENTS WITH T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA AND T-CELL LYMPHOBLASTIC LYMPHOMA

INTRAVENOUS

Cmax 16.8 MICROMOLAR

VD 318.5 LITER

PPB 25 PERCENT

Cl 315 LITER / HOUR

HT 0.3 HOUR

SOLUBILITY SLIGHTLY SOLUBLE TO SOLUBLE IN WATER

ADENOSINE DEAMINASE

DNA POLYMERASE ALPHA CATALYTIC SUBUNIT 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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