Cheminformatic Tools and Databases for Pharmacology

session 62998 - 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
BRINCIDOFOVIR (has an active metabolite)

BRINCIDOFOVIR


ATC J05AB12

ANTIINFECTIVES
ORTHOPOXVIRUS NUCLEOTIDE ANALOG DNA POLYMERASE INHIBITOR
TREATMENT OF HUMAN SMALLPOX DISEASE
ANTIVARIOLA
METABOLIZED BY SPHINGOMYELINASE

ORAL

Cmax 854.5 NANOMOLAR

Tmax 3 HOUR

F 16.8 PERCENT

VD 1230 LITER

PPB 99.9 PERCENT

Cl 44.1 LITER / HOUR

HT 19.3 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

DNA POLYMERASE

-

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
CIDOFOVIR (is an active metabolite) (has an active metabolite)

CIDOFOVIR


ATC J05AB12

ANTIINFECTIVES
ANTIVIRAL
SUPPRESS CYTOMEGALOVIRUS (CMV) REPLICATION
CMV DNA POLYMERASE INHIBITOR

INJECTION

Cmax 70.2 MICROMOLAR

VD 26.6 LITER (65 KILOGRAM)

PPB 6 PERCENT

Cl 8.8 LITER / HOUR

HT 2.6 HOUR

SOLUBILITY 170 MILLIGRAM / MILLILITER IN WATER

DNA POLYMERASE

PDB 5KM8 (HUMAN HISTIDINE TRIAD NUCLEOTIDE BINDING PROTEIN 2 (HHINT2) CIDOFOVIR COMPLEX)

LIGAND CODE = L8P (link to the list of PDB complexes)

Download experimental 3D coordinates of L8P with added hydrogens

DNA polymerase catalytic subunit UNIPROT P04293

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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