Compound Detail
CHEMBL4130141
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Basic Information
| ChEMBL ID | CHEMBL4130141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBQBXEMKPWRLDT-KJHBKDRRSA-N |
| Parent Compound | CHEMBL4301203 |
| Active Moiety | CHEMBL4301203 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.86
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | EC50 | = | 1100.0 | nM | 5.96 | Agonist activity at human CaSR expressed in CHO cells assessed as increase in in... | 29724589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29724589 | 10.1016/j.bmcl.2018.04.055 | Cytochrome P450 2D6 | 3 |
| 29724589 | 10.1016/j.bmcl.2018.04.055 | ADMET | 2 |
| 29724589 | 10.1016/j.bmcl.2018.04.055 | Extracellular calcium-sensing receptor | 2 |
Data from ChEMBL 36 via Core Engine