Compound Detail
CHEMBL161401
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COC(=O)C(Oc1c(OC)cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc1OC)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL161401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWKDMVUBHBOZPH-MZJWZYIUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.9
MW (Da)
4.12
ALogP
8
HBA
2
HBD
115.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 690.0 | nM | 6.16 | In vitro inhibitory activity against human glucagon receptor using [127I]-labele... | 11844695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844695 | 10.1016/s0960-894x(01)00819-8 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine