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Compound Detail

CHEMBL273727

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O=C(/C=C/c1ccc(OCc2nccs2)cc1)c1cc(-c2nn[nH]n2)ccc1O

Basic Information

ChEMBL ID CHEMBL273727
Phase Preclinical
Structure Type MOL
InChI Key LEONVQOXNVQAHC-XVNBXDOJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
3.50
ALogP
8
HBA
2
HBD
113.9
PSA (Ų)
0.36
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 C20H15N5O3S
MW 405.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.07

Activity Summary

Kd 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
Kd 6.63 6.63 233.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9089329 10.1021/jm960628d Cysteinyl leukotriene receptor 1

Data from ChEMBL 36 via Core Engine