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Compound Detail

CHEMBL27663

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CCOC(=O)CO/N=C(\C)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1

Basic Information

ChEMBL ID CHEMBL27663
Phase Preclinical
Structure Type MOL
InChI Key XDSMRNLSACYQHU-PCLIKHOPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
5.17
ALogP
6
HBA
0
HBD
57.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26FNO4S
MW 431.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.21 6.21 610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 610.0 nM 6.21 In vitro inhibitory activity against LTB4 synthesis in A-23187 stimulated human ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00578-H Homo sapiens 1

Data from ChEMBL 36 via Core Engine