Compound Detail
CHEMBL1508769
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CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCN(C)C2
Basic Information
| ChEMBL ID | CHEMBL1508769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALVNWISPRKIFDT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
3.49
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | EC50 | 5.17 | 5.17 | 6810.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.09 | 5.09 | 8080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | EC50 | = | 6810.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ago... | - |
| Unchecked | EC50 | = | 8080.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
Data from ChEMBL 36 via Core Engine