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Compound Detail

CHEMBL1672734

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O=c1cc(C2CCC2)c2c(=O)[nH]c(C(F)F)nc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672734
Phase Preclinical
Structure Type MOL
InChI Key BZLHDLYMTJNPCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.2
MW (Da)
2.08
ALogP
4
HBA
1
HBD
76.0
PSA (Ų)
0.90
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 C12H10F2N2O3
MW 268.22
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.74

Literature References

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

Data from ChEMBL 36 via Core Engine