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Compound Detail

CHEMBL1956118

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CC(CCc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956118
Phase Preclinical
Structure Type MOL
InChI Key OOMYMJWEXAXADU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
4.02
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.46
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 C23H23NO4S
MW 409.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
22175825 10.1021/jm2014748 UDP-3-O-acyl-N-acetylglucosamine deacetylase 1
22175825 10.1021/jm2014748 Pseudomonas aeruginosa 1
22175825 10.1021/jm2014748 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine