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 the equation t1/2 = VD / Cl * 0.693 was usedPrimary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
DORDAVIPRONE

DORDAVIPRONE

ANTINEOPLASTIC
PROTEASE ACTIVATOR
TREATMENT OF PATIENTS WITH DIFFUSE MIDLINE GLIOMA

ORAL

Cmax 7.2 MICROMOLAR

Tmax 1.4 HOUR

VD 450 LITER

PPB 96 PERCENT

Cl 27 LITER / HOUR

HT 11 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

MITOCHONDRIAL CASEINOLYTIC PROTEASE P (CLPP)
DOPAMINE D2 RECEPTOR

-

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

VigiAccess
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 the equation t1/2 = VD / Cl * 0.693 was usedPrimary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
SUNVOZERTINIB

SUNVOZERTINIB

ANTINEOPLASTIC
EGFR KINASE INHIBITOR
TREATMENT OF NON-SMALL CELL LUNG CANCER (NSCLC)

ORAL

Cmax 705 NANOMOLAR

Tmax 6 HOUR

VD 2116 LITER

PPB 91 PERCENT

Cl 29 LITER / HOUR

HT 50 HOUR

EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR)

-

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

VigiAccess
SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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