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Compound Detail

CHEMBL283905

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CCOC(=O)c1csc(CO/N=C(\C)c2ccc(Sc3cc(F)cc(C4CCOCC4)c3)cc2)n1

Basic Information

ChEMBL ID CHEMBL283905
Phase Preclinical
Structure Type MOL
InChI Key YSTZEIRSTZYZJD-STBIYBPSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
6.44
ALogP
8
HBA
0
HBD
70.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27FN2O4S2
MW 514.64
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 150.0 nM 6.82 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