Cheminformatic Tools and Databases for Pharmacology

session 13314 - 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
M REMDESIVIR (is an active metabolite)

REMDESIVIR


ATC J05AB16

ANTIINFECTIVES
SARS-COV-2 NUCLEOTIDE ANALOG RNA POLYMERASE INHIBITOR
ANTIVIRAL

-

Cmax 497 NANOMOLAR

Tmax 1.75 HOUR

PPB 2 PERCENT

HT 27 HOUR

RNA POLYMERASE

PDB 7BF6 (CRYSTAL STRUCTURE OF SARS-COV-2 MACRODOMAIN IN COMPLEX WITH REMDESIVIR METABOLITE GS-441524)

LIGAND CODE = U08 (link to the list of PDB complexes)

Download experimental 3D coordinates of U08 with added hydrogens

Unknown - 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
REMDESIVIR (has an active metabolite)

REMDESIVIR


ATC J05AB16

ANTIINFECTIVES
SARS-COV-2 NUCLEOTIDE ANALOG RNA POLYMERASE INHIBITOR
ANTIVIRAL

INTRAVENOUS

Cmax 3.7 MICROMOLAR

Tmax 0.67 HOUR

PPB 90.8 PERCENT

HT 1 HOUR

RNA POLYMERASE

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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