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Compound Detail

CHEMBL11778

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O=C(/C=C/c1cccc(OCc2ccc3ccccc3c2)c1)c1cc(-c2nn[nH]n2)ccc1O

Basic Information

ChEMBL ID CHEMBL11778
Phase Preclinical
Structure Type MOL
InChI Key HLCGVVPFNRMKAU-FMIVXFBMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
5.20
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20N4O3
MW 448.48
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.58

Activity Summary

Kd 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
Kd 4.72 4.72 19200.0 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