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Compound Detail

CHEMBL2216772

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CCCCc1ccc(NC(=O)OCCN2CCCCC2CC(C2CCCCC2)C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2216772
Phase Preclinical
Structure Type MOL
InChI Key PSYFEFFNOUUVDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

496.8
MW (Da)
8.60
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H52N2O2
MW 496.78
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
21504156 10.1021/jm100809g Carnitine O-palmitoyltransferase 2, mitochondrial 1
21504156 10.1021/jm100809g Carnitine O-palmitoyltransferase 1, liver isoform 1

Data from ChEMBL 36 via Core Engine