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
BEROTRALSTAT

BEROTRALSTAT


ATC B06AC06

CARDIOVASCULAR
INDICATED FOR PROPHYLAXIS TO PREVENT ATTACKS OF HEREDITARY ANGIOEDEMA (HAE)
PLASMA KALLIKREIN PROTEASE INHIBITOR

ORAL

Cmax 280.8 NANOMOLAR

Tmax 5 HOUR

PPB 99 PERCENT

HT 93 HOUR

SOLUBILITY SOLUBLE IN WATER IF PH LESS THAN 4.5

KALLIKREIN

Unknown - more at DrugCentralEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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