Compound Detail
CHEMBL150869
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Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)CC3CCCCC3)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL150869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVEWFAPZRMGDTO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
5.87
ALogP
4
HBA
2
HBD
90.9
PSA (Ų)
0.41
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.28 | nM | 9.55 | Ability to displace [125I]CCK-8 from gastrin/Cholecystokinin type B receptor fro... | - |
| Cholecystokinin receptor type A | IC50 | = | 480.0 | nM | 6.32 | Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecyst... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00556-9 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/0960-894X(95)00556-9 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine