Cheminformatic Tools and Databases for Pharmacology

session 41025 - 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 TRIHEPTANOIN (is an active metabolite)

TRIHEPTANOIN


ATC A16AX17

METABOLISM
MEDIUM-CHAIN TRIGLYCERIDE
TREATMENT OF LONG-CHAIN FATTY ACID OXIDATION DISORDERS (LC-FAOD)

-

Cmax 319.9 MICROMOLAR

Tmax 1.2 HOUR

PPB 80 PERCENT

Cl 280.1 LITER / HOUR (65 KILOGRAM)

PDB 6JYD (STRUCTURE OF LIGHT-STATE MARINE BACTERIAL CHLORIDE IMPORTER, NM-R3, WITH CW LASER (ND-30PERCENT) AT 95K)

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

Download experimental 3D coordinates of OLA with added hydrogens

Unknown

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
TRIHEPTANOIN (has an active metabolite)

TRIHEPTANOIN


ATC A16AX17

METABOLISM
MEDIUM-CHAIN TRIGLYCERIDE
TREATMENT OF LONG-CHAIN FATTY ACID OXIDATION DISORDERS (LC-FAOD)
LONG-CHAIN FAOD ENZYME DEFICIENCIES
EXTENSIVELY HYDROLYZED TO HEPTANOATE AND GLYCEROL BY PANCREATIC LIPASES

ORAL

Unknown

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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