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Compound Detail

CHEMBL5193446

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COc1cccc(C2CC(O)=Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5193446
Phase Preclinical
Structure Type MOL
InChI Key DXCPBYNQUAUPNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
4.46
ALogP
5
HBA
2
HBD
93.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19FN2O5
MW 410.40
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.81

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