Compound Detail
CHEMBL170129
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O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)Nc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL170129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQMFDMZQRSBORE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
618.8
MW (Da)
6.39
ALogP
4
HBA
4
HBD
112.3
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 230.0 | nM | 6.64 | Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type A ... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 810.0 | nM | 6.09 | Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type B ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80687-3 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(00)80687-3 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80687-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine