Compound Detail
CHEMBL74336
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CC(C)CC(C=O)NC(=O)C(CCC/N=C(\N)N[N+](=O)[O-])NC(=O)C(CCCCCCCCC#N)C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL74336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMKCXXGHQVJDPK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
3.53
ALogP
7
HBA
4
HBD
192.6
PSA (Ų)
0.04
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Chymotrypsin-like protease CTRL-1 CHEMBL4873 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 6.0 | nM | 8.22 | Compound was tested for inhibition of chymotrypsin-like protease of proteasome f... | - |
| 20S proteasome | IC50 | = | 6.0 | nM | 8.22 | Compound was evaluated for inhibitory activity against 20S proteasome from human... | 7608891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00014-5 | Chymotrypsin-like protease CTRL-1 | 1 |
| 7608891 | 10.1021/jm00013a002 | 20S proteasome | 1 |
Data from ChEMBL 36 via Core Engine