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Compound Detail

CHEMBL2297006

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

Basic Information

ChEMBL ID CHEMBL2297006
Phase Preclinical
Structure Type MOL
InChI Key SQNHIODFWCHGKP-RGURZIINSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
-1.07
ALogP
5
HBA
3
HBD
132.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O4S
MW 297.34
Aromatic Rings 1
Heavy Atoms 20

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