Compound Detail
CHEMBL2032300
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Basic Information
| ChEMBL ID | CHEMBL2032300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWIKJHGBIFHLPM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
5.27
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 0.01 | nM | 11.0 | Agonist activity at SIP1 receptor by tango assay | 22583616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22583616 | 10.1016/j.bmcl.2012.04.095 | Sphingosine 1-phosphate receptor 1 | 1 |
| 22583616 | 10.1016/j.bmcl.2012.04.095 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine