Compound Detail
CHEMBL3351023
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CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1)C2
Basic Information
| ChEMBL ID | CHEMBL3351023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOBYBPGAJWUXBY-NFSAJQKQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
614.7
MW (Da)
5.02
ALogP
5
HBA
5
HBD
149.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 2.188 | nM | 8.66 | Cholecystokinin type B receptor binding assay performed on homogenized cerebral ... | 1578483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578483 | 10.1021/jm00087a011 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine