Compound Detail
CHEMBL158491
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COC(=O)/C(=C/c1ccccc1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Basic Information
| ChEMBL ID | CHEMBL158491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIILWZHAJTVMLT-QPGRXULKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
5.35
ALogP
5
HBA
3
HBD
109.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 270.0 | nM | 6.57 | Compound was tested for the inhibition of specific binding of [125I]bolton Hunte... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81250-6 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(01)81250-6 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine