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Compound Detail

CHEMBL2420367

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COc1ccc(CCCCC(=O)C(F)(F)C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2420367
Phase Preclinical
Structure Type MOL
InChI Key CICDFDPOGZQTQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
4.17
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15F5O2
MW 310.26
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
23916152 10.1016/j.bmc.2013.07.010 85/88 kDa calcium-independent phospholipase A2 2
30798607 10.1021/acs.jmedchem.8b01216 85/88 kDa calcium-independent phospholipase A2 2
23916152 10.1016/j.bmc.2013.07.010 Phospholipase A2 group V 1
23916152 10.1016/j.bmc.2013.07.010 Cytosolic phospholipase A2 1
30798607 10.1021/acs.jmedchem.8b01216 Cytosolic phospholipase A2 1
30798607 10.1021/acs.jmedchem.8b01216 Unchecked 1

Data from ChEMBL 36 via Core Engine