Compound Detail
CHEMBL219782
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Basic Information
| ChEMBL ID | CHEMBL219782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEUNEKGPILBDMY-OAQYLSRUSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
1.25
ALogP
6
HBA
2
HBD
113.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Ki 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor CHEMBL3798 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Calcitonin gene-related peptide type 1 receptor CHEMBL3798 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor | Ki | = | 48.0 | nM | 7.32 | Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 ... | 17027263 |
| Calcitonin gene-related peptide type 1 receptor | IC50 | = | 350.0 | nM | 6.46 | Inhibition of CGRP-induced cAMP production in E10 cells | 17027263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17027263 | 10.1016/j.bmcl.2006.09.045 | Calcitonin gene-related peptide type 1 receptor | 2 |
Data from ChEMBL 36 via Core Engine