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Compound Detail

CHEMBL480449

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C=C(C)[C@H]1CCc2cc3c(=O)oc(C)cc3nc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480449
Phase Preclinical
Structure Type MOL
InChI Key ZAPVCKRAGKDBPD-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
3.18
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO2
MW 255.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
19121940 10.1016/j.bmcl.2008.12.060 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine