Compound Detail
CHEMBL61275
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CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(O)nc12
Basic Information
| ChEMBL ID | CHEMBL61275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLYDBONATWKYQX-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
2.91
ALogP
8
HBA
5
HBD
155.6
PSA (Ų)
0.21
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 30.0 | nM | 7.52 | Binding affinity towards human Beta-3 adrenergic receptor | 9925722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9925722 | 10.1021/jm980521l | Beta-3 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine