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Compound Detail

CHEMBL4085332

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Cc1cc2c(o1)-c1c(c3ccccc3c(=O)n1CCO)C(=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085332
Phase Preclinical
Structure Type MOL
InChI Key CNARBSCSBRAZGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
1.94
ALogP
6
HBA
1
HBD
89.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13NO5
MW 323.30
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
29294282 10.1021/acs.jmedchem.7b01259 KB 1
29294282 10.1021/acs.jmedchem.7b01259 Unchecked 1

Data from ChEMBL 36 via Core Engine