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Compound Detail

CHEMBL5180748

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CC(C)c1nnc(NC(=O)C(=O)O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180748
Phase Preclinical
Structure Type MOL
InChI Key ODTPEZHSRIRMAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

215.2
MW (Da)
0.68
ALogP
5
HBA
2
HBD
92.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9N3O3S
MW 215.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
35286928 10.1016/j.ejmech.2022.114235 Phosphotyrosine-protein phosphatase PTPB 2

Data from ChEMBL 36 via Core Engine