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Compound Detail

CHEMBL3559499

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CCCCCCCCOC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559499
Phase Preclinical
Structure Type MOL
InChI Key ZTANFHVWOWCBLM-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
1.29
ALogP
4
HBA
1
HBD
78.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H32N2O4
MW 316.44
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
12519067 10.1021/jm020979u Carnitine O-palmitoyltransferase 1, liver isoform 1
12519067 10.1021/jm020979u Carnitine O-palmitoyltransferase 1, muscle isoform 1

Data from ChEMBL 36 via Core Engine