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Compound Detail

CHEMBL279935

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C/C(=N\OCCSc1nnnn1C)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1

Basic Information

ChEMBL ID CHEMBL279935
Phase Preclinical
Structure Type MOL
InChI Key LASGLOVVNQXZKR-WGOQTCKBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
4.93
ALogP
9
HBA
0
HBD
74.4
PSA (Ų)
0.18
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26FN5O2S2
MW 487.63
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.94

Activity Summary

IC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 120.0 nM 6.92 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