Cheminformatic Tools and Databases for Pharmacology

session 8771 - 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
DAUNORUBICIN (has an active metabolite)

DAUNORUBICINNATURAL MOLECULE (link)


ATC L01DB02
ATC L01XY01

ANTINEOPLASTIC
ANTIBIOTICS
CYTOTOXIC
ANTIMITOTIC
ANTHRACYCLINES
INDICATED FOR REMISSION INDUCTION IN ACUTE NONLYMPHOCYTIC LEUKEMIA
INTERCALANT

INJECTION INTRAVENOUS

VD 1006 LITER

Cl 14 LITER / HOUR

HT 18.5 HOUR

TOPOISOMERASE II
DNA
MULTIDRUG RESISTANCE PROTEIN 1
POLYMERASE

PDB 3TVB (A HIGHLY SYMMETRIC DNA G-4 QUADRUPLEX/DRUG COMPLEX)

LIGAND CODE = DM1 (link to the list of PDB complexes)

Download experimental 3D coordinates of DM1 with added hydrogens

DNA TOPOISOMERASE II ALPHA INHIBITOR CHEMBL1806 DNA TOPOISOMERASE II ALPHA P11388 DNA TOPOISOMERASE 2-ALPHA HOMO SAPIENS ENZYME ISOMERASEANSM (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
DAUNORUBICINOL (is an active metabolite)

DAUNORUBICINOL


ATC L01DB02
ATC L01XY01

ANTINEOPLASTIC
ANTIBIOTICS
CYTOTOXIC
ANTIMITOTIC
ANTHRACYCLINES
INDICATED FOR REMISSION INDUCTION IN ACUTE NONLYMPHOCYTIC LEUKEMIA
INTERCALANT

-

HT 26.7 HOUR

TOPOISOMERASE II
DNA
MULTIDRUG RESISTANCE PROTEIN 1
POLYMERASE

DNA TOPOISOMERASE II ALPHA INHIBITOR CHEMBL1806 DNA TOPOISOMERASE II ALPHA P11388 DNA TOPOISOMERASE 2-ALPHA HOMO SAPIENS ENZYME ISOMERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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