e-Drug3D

1984

TRIHEPTANOIN

INN
TRIHEPTANOIN

cas 620-67-7

CLASS

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

ROUTE (list)

ORAL

ATC code

A16AX17

PK parameters

Target

DrugCentral

Unknown

Download SDF file

Heptanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester

Formula:
C24H44O6

Calculated chemical properties:

MW 428.59
NB_atoms 30
XLogP 5.90
PSA 74.347
NB_HD 0
NB_HA 6
fsp3 0.88
Lipinski(0=no;1=yes) 0

FDA
NDA 213687 (label) INN (TRIHEPTANOIN) DOJOLVI (ULTRAGENYX PHARM INC) APPROVAL= AP YEAR= 2020 NEWMOLECULARENTITY

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL

e-Drug3D

1985

M TRIHEPTANOIN

INN
TRIHEPTANOIN

(is an active metabolite)

cas 7563-37-3

CLASS

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

ROUTE (list)

ATC code

A16AX17

PK parameters

Tmax 1.2 HOUR
Cmax 319.9 MICROMOLAR
Cl 280.1 LITER / HOUR (65 KILOGRAM)
PPB 80 PERCENT

Target

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

DrugCentral

Unknown

Download SDF file

Heptanoic acid

Formula:
C7H14O2

Calculated chemical properties:

MW 129.17
NB_atoms 9
XLogP 0.71
PSA 35.449
NB_HD 0
NB_HA 2
fsp3 0.86
Lipinski(0=no;1=yes) 1

FDA
-