Cheminformatic Tools and Databases for Pharmacology

session 15957 - 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
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

Replicase polyprotein 1ab UNIPROT P0DTD1 REP

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
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

Replicase polyprotein 1ab UNIPROT P0DTD1 REP

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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