Compound Detail
CHEMBL2115434
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Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2c(cc(Br)c(O)c2Br)C[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2115434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGRCDRUJAVJRKB-SJORKVTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
542.2
MW (Da)
3.15
ALogP
5
HBA
4
HBD
124.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.09 | 5.09 | 8130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 8130.0 | nM | 5.09 | Compound was evaluated for binding affinity towards Opioid receptor mu 1 by disp... | 10673103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10673103 | 10.1016/s0960-894x(99)00652-6 | Delta-type opioid receptor | 1 |
| 10673103 | 10.1016/s0960-894x(99)00652-6 | Mu-type opioid receptor | 1 |
| 10673103 | 10.1016/s0960-894x(99)00652-6 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine