Compound Detail
CHEMBL152691
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N#Cc1cc(C(=O)N/N=C/c2ccc(OCC(=O)N3CC=C(c4ccc(Br)cc4)CC3)c3ccccc23)ccc1O
Basic Information
| ChEMBL ID | CHEMBL152691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PULPKDXNPLLVDT-XZYGTATASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
609.5
MW (Da)
5.64
ALogP
6
HBA
2
HBD
115.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 6.1 | nM | 8.21 | In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK ... | 12477359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477359 | 10.1021/jm0208572 | Glucagon receptor | 1 |
| 12477359 | 10.1021/jm0208572 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine