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Compound Detail

CHEMBL1956129

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C[C@@](CCc1ccc(-c2ccc(Cl)cc2)cc1)(C(=O)NO)S(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956129
Phase Preclinical
Structure Type MOL
InChI Key HRELUEGGLLSMRX-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
3.25
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.59
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 C18H20ClNO4S
MW 381.88
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.39

Pharmacokinetic Data

Parameter Value Units Species
CL 3.0 uL.min-1.(10^6cells)-1 Rattus norvegicus

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
- 10.6019/CHEMBL3301361 No relevant target 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine