Compound Detail
CHEMBL315875
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COC(=O)[C@H](NC(=O)CC(O)C(CCCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C)NC(=O)OCc1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL315875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAEVAAUSZIHGGK-NYGXRZGHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
753.9
MW (Da)
3.68
ALogP
9
HBA
6
HBD
201.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 500.0 | nM | 6.3 | Compound was evaluated for the ability to inhibit penicillopepsin. | 3882966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3882966 | 10.1021/jm00381a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine