Compound Detail
CHEMBL1412583
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Basic Information
| ChEMBL ID | CHEMBL1412583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHJCKBWPCNFLBM-BOPFTXTBSA-N |
9
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.9
MW (Da)
5.16
ALogP
8
HBA
0
HBD
78.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.47
EC50 4 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.78 | 6.625 | 168.0 | 2 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 6.46 | 5.835 | 351.0 | 2 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | IC50 | 6.31 | 6.31 | 493.9 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 6.21 | 6.21 | 614.2 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.18 | 5.18 | 6619.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.01 | 5.0 | 9668.0 | 2 |
| Integrin alpha-4 CHEMBL278 | EC50 | 4.93 | 4.93 | 11820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine