Compound Detail
CHEMBL380592
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COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)N21
Basic Information
| ChEMBL ID | CHEMBL380592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBBQHQRJDQHKDM-OHBKMZHCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
732.8
MW (Da)
4.37
ALogP
7
HBA
5
HBD
174.7
PSA (Ų)
0.13
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302807 | 10.1021/jm050689o | Cholecystokinin receptor type A | 1 |
| 16302807 | 10.1021/jm050689o | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine