Compound Detail
CHEMBL4779970
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O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL4779970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCISHBRGIHSAAJ-NJDAHSKKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.9
MW (Da)
4.17
ALogP
5
HBA
0
HBD
80.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase type 2 CHEMBL3760 | EC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase type 2 | EC50 | = | 530.0 | nM | 6.28 | 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