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Compound Detail

CHEMBL5569369

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Oc1c(-c2ccccc2)n[nH]c1-c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5569369
Phase Preclinical
Structure Type MOL
InChI Key YLSFTGALCPMOSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
3.04
ALogP
3
HBA
2
HBD
62.0
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 C13H10N2O2
MW 226.24
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
37950965 10.1016/j.ejmech.2023.115913 HT-1080 1

Data from ChEMBL 36 via Core Engine