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Compound Detail

CHEMBL1084580

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COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)CSCC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1084580
Phase Preclinical
Structure Type MOL
InChI Key LNEVKAOCAGJSLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
2.87
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.74
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 C16H16F3N3O4S
MW 403.38
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
20471252 10.1016/j.bmcl.2010.04.095 Fatty acid-binding protein, adipocyte 2

Data from ChEMBL 36 via Core Engine