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Compound Detail

CHEMBL490947

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COCCNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490947
Phase Preclinical
Structure Type MOL
InChI Key GMNCFNYHRZKMLP-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
1.71
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H28N2O3
MW 296.41
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
19371038 10.1021/jm8011849 Unchecked 2

Data from ChEMBL 36 via Core Engine