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Compound Detail

CHEMBL66882

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CC(C)C(CNO)C(=O)NCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL66882
Phase Preclinical
Structure Type MOL
InChI Key BXMYBDDKXCHAOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
-0.17
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.44
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 C9H18N2O4
MW 218.25
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
7783143 10.1021/jm00012a011 Endothelin-converting enzyme 1 1

Data from ChEMBL 36 via Core Engine