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Compound Detail

CHEMBL1672644

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O=c1cc(CCCC2(CO)CC2)c2c(=O)[nH]c(C(F)F)nc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672644
Phase Preclinical
Structure Type MOL
InChI Key MVKWHVDVWUXMAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
1.91
ALogP
5
HBA
2
HBD
96.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16F2N2O4
MW 326.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.41

Literature References

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

Data from ChEMBL 36 via Core Engine