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Compound Detail

CHEMBL1672758

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CCCCc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672758
Phase Preclinical
Structure Type MOL
InChI Key JNBHABWKPNWWKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
1.78
ALogP
4
HBA
1
HBD
76.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O3
MW 248.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
24900295 10.1021/ml100251u Hydroxycarboxylic acid receptor 2 1

Data from ChEMBL 36 via Core Engine