e-Drug3D
1985
cas 7563-37-3
CLASS
METABOLISM
MEDIUM-CHAIN TRIGLYCERIDE
TREATMENT OF LONG-CHAIN FATTY ACID OXIDATION DISORDERS (LC-FAOD)
ROUTE (list)
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ATC code
A16AX17
PK parameters
Tmax 1.2 HOUR
Cl 280.1 LITER / HOUR (65 KILOGRAM)
PPB 80 PERCENT
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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
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
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
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