Compound Detail
CHEMBL215498
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N#CC1(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5ccccc5Cl)cc4)nc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL215498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMLGLKCTOQYTPQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
5.38
ALogP
4
HBA
3
HBD
110.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor CHEMBL4374 | EC50 | 5.0 | 4.885 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells | 16879962 |
| Photoreceptor-specific nuclear receptor | EC50 | = | 17000.0 | nM | 4.77 | Agonist activity at NR2E3 by beta lactamase transactivation assay | 16879962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16879962 | 10.1016/j.bmcl.2006.07.056 | Photoreceptor-specific nuclear receptor | 2 |
Data from ChEMBL 36 via Core Engine