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 TEMOZOLOMIDE (is an active metabolite)

TEMOZOLOMIDE


ATC L01AX03

ANTINEOPLASTIC
ALKYLATING DNA
ALKYLATION (METHYLATION) OCCURS MAINLY AT THE O6 AND N7 POSITIONS OF GUANINE

-

Cmax 1.64 MICROMOLAR

DNA

Unknown

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
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
TEMOZOLOMIDE (has an active metabolite)

TEMOZOLOMIDE


ATC L01AX03

ANTINEOPLASTIC
ALKYLATING DNA
ALKYLATION (METHYLATION) OCCURS MAINLY AT THE O6 AND N7 POSITIONS OF GUANINE

ORAL INTRAVENOUS

Cmax 37.6 MICROMOLAR

Tmax 1 HOUR

F 100 PERCENT

VD 26 LITER

PPB 95 PERCENT

Cl 8.8 LITER / HOUR

HT 1.8 HOUR

DNA

Unknown

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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