Compound Detail
CHEMBL4744648
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Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL4744648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJIYRXZFRCGGNL-DNVJHFABSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.9
MW (Da)
4.65
ALogP
5
HBA
0
HBD
80.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase type 2 CHEMBL3760 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase type 2 | EC50 | = | 310.0 | nM | 6.51 | 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 | 2 |
Data from ChEMBL 36 via Core Engine