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Compound Detail

CHEMBL11244

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O=C(O)c1cc(Br)cc(C(=O)/C=C/c2ccc(OCc3ccc4ccccc4n3)cc2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11244
Phase Preclinical
Structure Type MOL
InChI Key FQNREFCZLPLEIF-KPKJPENVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.3
MW (Da)
5.88
ALogP
5
HBA
2
HBD
96.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18BrNO5
MW 504.34
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.27

Activity Summary

Kd 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
 Kd 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor Kd = 2100.0 nM 5.68 Displacement of [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lu... 9089329

Literature References

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

Data from ChEMBL 36 via Core Engine