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
AMIFOSTINE (has an active metabolite)

AMIFOSTINE


ATC V03AF05

VARIOUS
RADIATION-PROTECTIVE AGENTS
PRODRUG
REDUCTION OF THE CUMULATIVE RENAL TOXICITY OF CISPLATIN AND FOR THE REDUCTION OF THE TOXIC EFFECTS OF RADIATION ON NORMAL ORAL TISSUES
INTESTINAL-TYPE ALKALINE PHOSPHATASE (IAP) IS A MAJOR ISOENZYME INVOLVED IN THE HYDROLYSIS OF AMIFOSTINE (PMID12577238)

INJECTION

Cmax 200 MICROMOLAR

VD 7 LITER

Cl 120 LITER / HOUR

HT 0.13 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

ALKALINE PHOSPHATASE

REACTIVE METABOLITE SCAVENGING AGENTEMA

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
M AMIFOSTINE (is an active metabolite)

AMIFOSTINE


ATC V03AF05

VARIOUS
RADIATION-PROTECTIVE AGENTS
REDUCTION OF THE CUMULATIVE RENAL TOXICITY OF CISPLATIN AND FOR THE REDUCTION OF THE TOXIC EFFECTS OF RADIATION ON NORMAL ORAL TISSUES
SCAVENGE REACTIVE OXYGEN SPECIES

-

Cmax 35 MICROMOLAR

HT 0.13 HOUR

ALKALINE PHOSPHATASE

REACTIVE METABOLITE SCAVENGING AGENTEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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