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Compound Detail

CHEMBL1672747

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CCc1cc(=O)oc2nc(C(F)(F)c3ccccc3)[nH]c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672747
Phase Preclinical
Structure Type MOL
InChI Key WMBGEHGMRAXOEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.58
ALogP
4
HBA
1
HBD
76.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12F2N2O3
MW 318.28
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.62

Literature References

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

Data from ChEMBL 36 via Core Engine