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Compound Detail

CHEMBL11914

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N#Cc1cc(Cl)cc(C(=O)/C=C/c2cccc(/C=C/c3ccc4ccccc4n3)c2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11914
Phase Preclinical
Structure Type MOL
InChI Key DOJFGABESYVMQD-BLTLMDCKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.9
MW (Da)
6.53
ALogP
4
HBA
1
HBD
74.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H17ClN2O2
MW 436.90
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.58

Activity Summary

Kd 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
 Kd 6.35 6.35 449.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor Kd = 449.0 nM 6.35 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