Compound Detail
CHEMBL1569585
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C=C1C(=O)C=C2CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1569585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAFVCCUNRXBEEH-XUZZJYLKSA-N |
7
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
3.12
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.33
EC50 5 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.48 | 5.9433 | 333.0 | 3 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.33 | 5.88 | 473.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.18 | 6.18 | 662.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 5.67 | 890.0 | 3 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 5.95 | 5.95 | 1120.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 4.92 | 4.92 | 11970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine