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Compound Detail

CHEMBL5583741

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CC(C)CC=C1C(=O)NC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5583741
Phase Preclinical
Structure Type MOL
InChI Key RSGUVDCKRLIZIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
0.32
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12N2O3
MW 196.21
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
38170998 10.1021/acs.jmedchem.3c01615 Sortase A 1
38170998 10.1021/acs.jmedchem.3c01615 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine