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Compound Detail

CHEMBL2297004

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CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C2CC(=O)NS2(=O)=O)cc1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2297004
Phase Preclinical
Structure Type MOL
InChI Key LRXWMSQZNPFGMU-UEWDXFNNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
0.50
ALogP
6
HBA
3
HBD
144.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N3O6S
MW 397.45
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0349-7 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine