Compound Detail
CHEMBL153038
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Basic Information
| ChEMBL ID | CHEMBL153038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJGVEWLQTOEULJ-RWPZCVJISA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
5.94
ALogP
4
HBA
2
HBD
66.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Ki 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.64 | 7.36 | 23.0 | 2 |
| Pituitary adenylate cyclase-activating polypeptide type I receptor CHEMBL5399 | Ki | 6.22 | 6.22 | 604.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 23.0 | nM | 7.64 | In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK ... | 12477359 |
| Glucagon receptor | IC50 | = | 84.0 | nM | 7.08 | In vitro inhibitory activity against human glucagon receptor using [127I]-labele... | 11844695 |
| Pituitary adenylate cyclase-activating polypeptide type I receptor | Ki | = | 604.0 | nM | 6.22 | Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells | 18272364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844695 | 10.1016/s0960-894x(01)00819-8 | Glucagon receptor | 1 |
| 12477359 | 10.1021/jm0208572 | Glucagon receptor | 1 |
| 12477359 | 10.1021/jm0208572 | ADMET | 1 |
| 18272364 | 10.1016/j.bmcl.2008.01.052 | Pituitary adenylate cyclase-activating polypeptide type I receptor | 1 |
Data from ChEMBL 36 via Core Engine