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Compound Detail

CHEMBL5071361

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Cn1cc(-c2cc(C(=O)O)n[nH]2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5071361
Phase Preclinical
Structure Type MOL
InChI Key SQTWDTBKAUXKHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
0.51
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H8N4O2
MW 192.18
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.25

Literature References

PubMed DOI Target Context # Activities
34143631 10.1021/acs.jmedchem.1c00024 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
34143631 10.1021/acs.jmedchem.1c00024 Serine/threonine-protein kinase PAK 4 1

Data from ChEMBL 36 via Core Engine