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 MOBOCERTINIB (is an active metabolite)

MOBOCERTINIB

ANTINEOPLASTIC
KINASE INHIBITOR
TREATMENT OF NSCLC WITH EGFR EXON 20 INSERTION MUTATIONS

-

PPB 98.6 PERCENT

Cl 159 LITER / HOUR

HT 18 HOUR

EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) (MUTATED)

More at DrugCentralANSM (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
M MOBOCERTINIB (is an active metabolite)

MOBOCERTINIB

ANTINEOPLASTIC
KINASE INHIBITOR
TREATMENT OF NSCLC WITH EGFR EXON 20 INSERTION MUTATIONS

-

PPB 99.5 PERCENT

Cl 149 LITER / HOUR

HT 24 HOUR

EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) (MUTATED)

More at DrugCentralANSM (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
MOBOCERTINIB (has an active metabolite)

MOBOCERTINIB

ANTINEOPLASTIC
KINASE INHIBITOR
TREATMENT OF NSCLC WITH EGFR EXON 20 INSERTION MUTATIONS
INHIBITS KINASES HER2, HER4 AND BLK WITH IC50 BELOW 2 NANOMOLAR

ORAL

Tmax 4 HOUR

F 37 PERCENT

VD 3509 LITER

PPB 99.3 PERCENT

Cl 138 LITER / HOUR

HT 18 HOUR

SOLUBILITY 17 MILLIGRAM PER MILLILITER AT PH 6.8

EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) (MUTATED)
HER2
HER4
BLK

More at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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