Compound Detail
CHEMBL21247
L-649923 Enter ChEMBL ID:
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CCCc1c(OCCCSc2ccc([C@@H](O)[C@H](C)CC(=O)O)cc2)ccc(C(C)=O)c1O
Basic Information
| ChEMBL ID | CHEMBL21247 |
| Name | L-649923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNHQJUJPBNEXHQ-GYCJOSAFSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
5.25
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.2
Ki 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 7.2 | 7.2 | 63.1 | 2 |
| Cysteinyl leukotriene receptor CHEMBL2094254 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 63.1 | nM | 7.2 | Compound was tested for LTD4 guinea pig trachea contraction | 8709092 |
| Cavia porcellus | Kd | = | 63.1 | nM | 7.2 | Antagonistic activity against LTD4 induced contraction in guinea pig trachea | 1849993 |
| Cysteinyl leukotriene receptor | Ki | = | 400.0 | nM | 6.4 | Binding affinity against Cysteinyl leukotriene D4 receptor | 8709092 |
| Cysteinyl leukotriene receptor 1 | Ki | = | 400.0 | nM | 6.4 | Compound was evaluated for its ability to displace [3H]LTD4 from LTD4 receptor i... | 1849993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2547071 | 10.1021/jm00128a028 | Cavia porcellus | 3 |
| 8709092 | 10.1021/jm960088k | Cysteinyl leukotriene receptor | 1 |
| 8709092 | 10.1021/jm960088k | Cavia porcellus | 1 |
| 8709092 | 10.1021/jm960088k | Homo sapiens | 1 |
| 1849993 | 10.1021/jm00108a001 | Cysteinyl leukotriene receptor 1 | 1 |
| 1849993 | 10.1021/jm00108a001 | Cavia porcellus | 1 |
| 2547071 | 10.1021/jm00128a028 | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine