Compound Detail
CHEMBL1603615
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Basic Information
| ChEMBL ID | CHEMBL1603615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXWNITNHJVSBTL-UHFFFAOYSA-N |
10
Targets
15
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
5.21
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 6.14
IC50 7 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 7.08 | 6.83 | 82.7 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.14 | 5.4175 | 719.0 | 4 |
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | IC50 | 5.89 | 5.89 | 1299.0 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | IC50 | 5.78 | 5.78 | 1678.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.63 | 5.63 | 2340.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 5.63 | 5.63 | 2349.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.4 | 5.4 | 3950.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.34 | 5.34 | 4556.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.32 | 5.03 | 4782.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 5.02 | 5.02 | 9634.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine