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
CARBENICILLIN DISCONTINUED (is an active metabolite)

CARBENICILLIN


ATC J01CA03

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
CELL WALL SYNTHESIS

INJECTION

VD 11 LITER (65 KILOGRAM)

PPB 48 PERCENT

Cl 7.4 LITER / HOUR (65 KILOGRAM)

HT 1.1 HOUR

PENICILLIN-BINDING PROTEINS

BACTERIAL PENICILLIN-BINDING PROTEIN INHIBITOR CHEMBL2354204 BACTERIAL PENICILLIN-BINDING PROTEIN P02918 PENICILLIN-BINDING PROTEIN 1A BACTERIA ENZYME PROTEASE SERINE UNCLASSIFIEDANSM (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
CARBENICILLIN DISCONTINUED (is an active metabolite)

CARBENICILLIN


ATC J01CA03

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
CELL WALL SYNTHESIS

INJECTION

VD 11 LITER (65 KILOGRAM)

PPB 48 PERCENT

Cl 7.4 LITER / HOUR (65 KILOGRAM)

HT 1.1 HOUR

PENICILLIN-BINDING PROTEINS

PDB 3ZGA (PENICILLIN-BINDING PROTEIN 4 FROM LISTERIA MONOCYTOGENES)

BACTERIAL PENICILLIN-BINDING PROTEIN INHIBITOR CHEMBL2354204 BACTERIAL PENICILLIN-BINDING PROTEIN P02918 PENICILLIN-BINDING PROTEIN 1A BACTERIA ENZYME PROTEASE SERINE UNCLASSIFIEDANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

3 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
CARBENICILLIN INDANYL DISCONTINUED (has an active metabolite)

CARBENICILLIN INDANYL


ATC J01CA03

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
CELL WALL SYNTHESIS

ORAL

SOLUBILITY FREELY SOLUBLE IN WATER

PENICILLIN-BINDING PROTEIN

BACTERIAL PENICILLIN-BINDING PROTEIN INHIBITOR CHEMBL2354204 BACTERIAL PENICILLIN-BINDING PROTEIN P02918 PENICILLIN-BINDING PROTEIN 1A BACTERIA ENZYME PROTEASE SERINE UNCLASSIFIEDANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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