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Compound Detail

CHEMBL1672757

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CCc1cc(=O)oc2nc(C(C)C)[nH]c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672757
Phase Preclinical
Structure Type MOL
InChI Key ZAJSEPOBSDVHMH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.2
MW (Da)
1.56
ALogP
4
HBA
1
HBD
76.0
PSA (Ų)
0.86
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 C12H14N2O3
MW 234.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.75

Literature References

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

Data from ChEMBL 36 via Core Engine