Compound Detail
CHEMBL402702
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(Nc1cccc(C(=O)OCCN2CCOCC2)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL402702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGIBOVXEDJQVQE-QEAZFSISSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
691.8
MW (Da)
5.59
ALogP
7
HBA
2
HBD
120.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 9.25 | 9.25 | 0.6 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | Ki | 6.47 | 6.47 | 338.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 0.5623 | nM | 9.25 | In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B rece... | 11020274 |
| Cholecystokinin receptor type A | Ki | = | 338.84 | nM | 6.47 | In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type A rece... | 11020274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020274 | 10.1021/jm990967h | Cholecystokinin receptor type A | 1 |
| 11020274 | 10.1021/jm990967h | Gastrin/cholecystokinin type B receptor | 1 |
| 11020274 | 10.1021/jm990967h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine