Cheminformatic Tools and Databases for Pharmacology

session 2887 - Total of 2 hits - Display   hits per page:

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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
ENTRECTINIB (has an active metabolite)

ENTRECTINIB


ATC L01XE56

ANTINEOPLASTIC
A TROPOMYOSIN RECEPTOR TYROSINE KINASES INHIBITOR (TRK) TRKA, TRKB, AND TRKC
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS1 INHIBITOR
ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITOR
ALSO INHIBITS JAK2 AND TNK2
TREATMENT OF METASTATIC NON-SMALL CELL LUNG CANCER (NSCLC)

ORAL

Cmax 3.13 MICROMOLAR

Tmax 5 HOUR

VD 551 LITER

PPB 99 PERCENT

Cl 19.6 LITER / HOUR

HT 20 HOUR

TROPOMYOSIN RECEPTOR TYROSINE KINASES INHIBITOR (TRK) TRKA TRKB AND TRKC
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS1
ANAPLASTIC LYMPHOMA KINASE (ALK)

PDB 5FTO (CRYSTAL STRUCTURE OF THE ALK KINASE DOMAIN IN COMPLEX WITH ENTRECTINIB)

LIGAND CODE = YMX (link to the list of PDB complexes)

Download experimental 3D coordinates of YMX with added hydrogens

High affinity nerve growth factor receptor inhibitor P04629 (NTRK1_HUMAN)ANSM (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 ENTRECTINIB (is an active metabolite)

ENTRECTINIB


ATC L01XE56

ANTINEOPLASTIC
A TROPOMYOSIN RECEPTOR TYROSINE KINASES INHIBITOR (TRK) TRKA, TRKB, AND TRKC
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS1 INHIBITOR
ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITOR
ALSO INHIBITS JAK2 AND TNK2
TREATMENT OF METASTATIC NON-SMALL CELL LUNG CANCER (NSCLC)

-

Cmax 1.25 MICROMOLAR

VD 81.1 LITER

PPB 99 PERCENT

Cl 52.4 LITER / HOUR

HT 40 HOUR

TROPOMYOSIN RECEPTOR TYROSINE KINASES INHIBITOR (TRK) TRKA TRKB AND TRKC
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS1
ANAPLASTIC LYMPHOMA KINASE (ALK)

High affinity nerve growth factor receptor inhibitor P04629 (NTRK1_HUMAN)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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