Cheminformatic Tools and Databases for Pharmacology

session 49967 - Total of 2 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
ABROCITINIB (has an active metabolite)

ABROCITINIB


ATC D11AH08

DERMATOLOGICALS
TREATMENT OF ATOPIC DERMATITIS
JANUS KINASE 1 (JAK1) INHIBITOR

ORAL

Tmax 1 HOUR

F 60 PERCENT

VD 100 LITER

PPB 64 PERCENT

HT 4 HOUR

SOLUBILITY 0.04 MILLIGRAM / MILLILITER

JAK1 KINASE

PDB 6BBU (CRYSTAL STRUCTURE OF JAK1 IN COMPLEX WITH COMPOUND 25)

LIGAND CODE = D7D (link to the list of PDB complexes)

Download experimental 3D coordinates of D7D with added hydrogens

Tyrosine-protein kinase JAK1 UNIPROT P23458

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
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 ABROCITINIB (is an active metabolite)

ABROCITINIB


ATC D11AH08

DERMATOLOGICALS
TREATMENT OF ATOPIC DERMATITIS
JANUS KINASE 1 (JAK1) INHIBITOR

-

PPB 29 PERCENT

HT 4 HOUR

JAK1 KINASE

Tyrosine-protein kinase JAK1 UNIPROT P23458

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |