Compound Detail
CHEMBL5897043
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C[C@]1(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cscn2)NC(=O)[C@H](CCc2ccccc2)NC(=O)c2cc(CN3CCOCC3)on2)CO1
Basic Information
| ChEMBL ID | CHEMBL5897043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRDZFWJCUCPPGT-CQMLEQORSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
714.8
MW (Da)
2.51
ALogP
11
HBA
3
HBD
168.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 CHEMBL4873 | IC50 | 8.17 | 8.04 | 6.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 6.81 | nM | 8.17 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 12.2 | nM | 7.91 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
Data from ChEMBL 36 via Core Engine