Compound Detail
CHEMBL1332111
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Basic Information
| ChEMBL ID | CHEMBL1332111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBPHONAGSPFBCY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
358.2
MW (Da)
4.50
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.06 | 5.06 | 8730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 195.0 | nM | 6.71 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Kappa-type opioid receptor | IC50 | = | 8730.0 | nM | 5.06 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
Data from ChEMBL 36 via Core Engine