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Compound Detail

CHEMBL1095003

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O=C(CCCCc1ccc2ccccc2c1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095003
Phase Preclinical
Structure Type MOL
InChI Key VCWWTQMRNJSJGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
4.68
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15F3O
MW 280.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
20369880 10.1021/jm901872v 85/88 kDa calcium-independent phospholipase A2 2
20369880 10.1021/jm901872v Unchecked 2
30798607 10.1021/acs.jmedchem.8b01216 85/88 kDa calcium-independent phospholipase A2 2
20369880 10.1021/jm901872v Phospholipase A2 group V 1
20369880 10.1021/jm901872v 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