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Compound Detail

CHEMBL313284

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C[C@H](NC(=O)[C@@H](CCS)CC1CCCCC1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313284
Phase Preclinical
Structure Type MOL
InChI Key PXCHRSDAXBCTFP-JQWIXIFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
2.48
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H25NO3S
MW 287.43
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00441-U Leukotriene A-4 hydrolase 1
- 10.1016/0960-894X(95)00441-U Neprilysin 1

Data from ChEMBL 36 via Core Engine