Compound Detail
CHEMBL235612
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C[C@H](Cc1ccc2[nH]c(C(=O)NCc3c(F)cccc3F)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1
Basic Information
| ChEMBL ID | CHEMBL235612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOHPKWTZPSIPKC-JWIGPWBQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
3.83
ALogP
5
HBA
6
HBD
117.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 10.28 | 10.28 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.053 | nM | 10.28 | Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CH... | 17897826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17897826 | 10.1016/j.bmcl.2007.09.031 | Beta-2 adrenergic receptor | 1 |
| 17897826 | 10.1016/j.bmcl.2007.09.031 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine