Compound Detail
CHEMBL1518905
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CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL1518905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNCNXUGQOWTYOP-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1186511 |
| Active Moiety | CHEMBL1186511 |
9
Targets
15
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.6
MW (Da)
6.34
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 11 meas. best 6.56
IC50 4 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 7.19 | 6.71 | 64.0 | 2 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| BJ CHEMBL614358 | EC50 | 6.56 | 6.21 | 273.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 6.04 | 6.04 | 903.0 | 1 |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | EC50 | 5.43 | 5.43 | 3740.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.22 | 5.22 | 5963.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.13 | 4.97 | 7335.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 4.71 | 4.71 | 19539.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine