Compound Detail
CHEMBL5902905
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1
Basic Information
| ChEMBL ID | CHEMBL5902905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHVXQDMJNRJFSX-CQMLEQORSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
673.8
MW (Da)
2.85
ALogP
9
HBA
3
HBD
155.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 CHEMBL4873 | IC50 | 8.37 | 8.25 | 4.3 | 2 |
| Transmembrane protease serine 11D CHEMBL1795138 | IC50 | 4.7 | 4.7 | 19921.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 4.28 | nM | 8.37 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 7.41 | nM | 8.13 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Transmembrane protease serine 11D | IC50 | = | 19921.0 | nM | 4.7 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
Data from ChEMBL 36 via Core Engine