Compound Detail
CHEMBL302135
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CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NCC(S)[C@@H](N)CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL302135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYLCPNXUBWHPGM-GURQWTFNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
2.47
ALogP
5
HBA
5
HBD
104.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of partially purified soluble aminopeptidase from rat brain | 3184127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3184127 | 10.1021/jm00119a023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine