Compound Detail
CHEMBL321700
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COc1ccc(N(C)C(=O)CN2C(=O)C(NC(=O)Nc3cccc(C4(C(F)(F)F)N=N4)c3)C(=O)N(c3ccccc3)c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL321700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZXABWDPHOZADD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
671.6
MW (Da)
5.74
ALogP
7
HBA
2
HBD
136.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 410.0 | nM | 6.39 | Displacement of 125I]-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat cell membrane Cho... | 9873689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873689 | 10.1016/s0960-894x(98)00548-4 | Cholecystokinin receptor type A | 1 |
| 9873689 | 10.1016/s0960-894x(98)00548-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine