Cheminformatic Tools and Databases for Pharmacology

session 86424 - 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
DIMESNA (is an active metabolite)

DIMESNA


ATC V03AF01
ATC R05CB05

VARIOUS
DETOXIFYING AGENT
DETOXIFYING AGENT TO INHIBIT THE HEMORRHAGIC CYSTITIS INDUCED BY IFOSFAMIDE
MESNA REACTS CHEMICALLY WITH THE UROTOXIC IFOSFAMIDE METABOLITES ACROLEIN AND 4-HYDROXY-IFOSFAMIDE

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HT 1.17 HOUR

METABOLITES ACROLEIN AND 4-HYDROXY-IFOSFAMIDE

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
MESNA (has an active metabolite)

MESNANATURAL MOLECULE (link)


ATC V03AF01
ATC R05CB05

VARIOUS
DETOXIFYING AGENT
DETOXIFYING AGENT TO INHIBIT THE HEMORRHAGIC CYSTITIS INDUCED BY IFOSFAMIDE
MESNA REACTS CHEMICALLY WITH THE UROTOXIC IFOSFAMIDE METABOLITES ACROLEIN AND 4-HYDROXY-IFOSFAMIDE

INJECTION INTRAVENOUS ORAL

Tmax 2.25 HOUR

F 58 PERCENT

VD 42.3 LITER (65 KILOGRAM)

Cl 79.9 LITER / HOUR (65 KILOGRAM)

HT 0.36 HOUR

METABOLITES ACROLEIN AND 4-HYDROXY-IFOSFAMIDE

PDB 4RQX (CRYSTAL STRUCTURE OF HUMAN PEROXIREDOXIN 4(THIOREDOXIN PEROXIDASE) WITH MESNA)

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

Download experimental 3D coordinates of COM with added hydrogens

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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