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Compound Detail

CHEMBL5199222

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O=C(O)c1cc(-c2cc(Cl)ccc2Cl)[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5199222
Phase Preclinical
Structure Type MOL
InChI Key MFCQLXUIVVBPNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.1
MW (Da)
3.08
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6Cl2N2O2
MW 257.08
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.56

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