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Compound Detail

CHEMBL5171668

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Cc1nc(-c2cccnc2-n2cnc(C(=O)O)c2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171668
Phase Preclinical
Structure Type MOL
InChI Key SZXVKDRAIRAISF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.2
MW (Da)
1.32
ALogP
7
HBA
1
HBD
106.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9N5O3
MW 271.24
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.58

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