Compound Detail
CHEMBL5203054
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Basic Information
| ChEMBL ID | CHEMBL5203054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXFGWUICDCDPNQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.8
MW (Da)
2.73
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase type 1 CHEMBL2899 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Adenylate cyclase type 8 CHEMBL2960 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase type 1 | IC50 | = | 360.0 | nM | 6.44 | Inhibition of Ca2+/ CAM stimulated human AC1 activity expressed in AC3 and AC6-k... | 35271288 |
| Adenylate cyclase type 8 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Ca2+/ CAM stimulated human AC8 activity expressed in AC3 and AC6-k... | 35271288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35271288 | 10.1021/acs.jmedchem.1c01759 | Adenylate cyclase type 8 | 2 |
| 35271288 | 10.1021/acs.jmedchem.1c01759 | Adenylate cyclase type 1 | 1 |
Data from ChEMBL 36 via Core Engine