Compound Detail
CHEMBL2079579
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Basic Information
| ChEMBL ID | CHEMBL2079579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLPYAKWFUWVFFT-KVQBGUIXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
271.2
MW (Da)
0.17
ALogP
7
HBA
2
HBD
99.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase type 5 CHEMBL2880 | IC50 | 6.01 | 5.275 | 980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase type 5 | IC50 | = | 980.0 | nM | 6.01 | Compound was evaluated for inhibition of adenylate cyclase from rat brain | 14971900 |
| Adenylate cyclase type 5 | IC50 | = | 29000.0 | nM | 4.54 | Compound was evaluated for inhibition of adenylate cyclase from rat brain | 14971900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14971900 | 10.1021/jm0303599 | Adenylate cyclase type 5 | 2 |
Data from ChEMBL 36 via Core Engine