Compound Detail
CHEMBL4751732
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Cc1ccc([C@H]2OC3(C(=O)c4ccc(Br)cc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1
Basic Information
| ChEMBL ID | CHEMBL4751732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVCLMGZGIMRDRV-LPOKKUQKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
550.8
MW (Da)
5.11
ALogP
5
HBA
0
HBD
80.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase type 2 CHEMBL3760 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase type 2 | EC50 | = | 90.0 | nM | 7.05 | Agonist activity at recombinant human AC2 expressed in HEK293 cells assessed as ... | 32105982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32105982 | 10.1016/j.ejmech.2020.112115 | Adenylate cyclase type 2 | 4 |
| 32105982 | 10.1016/j.ejmech.2020.112115 | Adenylate cyclase type 1 | 1 |
| 32105982 | 10.1016/j.ejmech.2020.112115 | Adenylate cyclase type 5 | 1 |
| 32105982 | 10.1016/j.ejmech.2020.112115 | Adenylate cyclase type 8 | 1 |
Data from ChEMBL 36 via Core Engine