Compound Detail
CHEMBL384232
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O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)c4cccnc4Cl)cc3)nc2c1)c1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL384232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWJAPPQRDYDOGQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.4
MW (Da)
6.44
ALogP
4
HBA
3
HBD
99.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor CHEMBL4374 | EC50 | 5.66 | 5.49 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor | EC50 | = | 2200.0 | nM | 5.66 | Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells | 16879962 |
| Photoreceptor-specific nuclear receptor | EC50 | = | 4800.0 | nM | 5.32 | 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