Compound Detail
CHEMBL263803
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C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL263803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDKSGHOHJZZRDZ-FOWZEEHGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
668.6
MW (Da)
6.85
ALogP
5
HBA
3
HBD
121.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | Ki | 6.1 | 6.1 | 791.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 791.0 | nM | 6.1 | Capacity to inhibit [3H]-p CCK 8 binding to membrane preparations of CHO cells t... | 9871777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871777 | 10.1016/s0960-894x(98)00231-5 | Gastrin/cholecystokinin type B receptor | 1 |
| 9871777 | 10.1016/s0960-894x(98)00231-5 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine