Compound Detail
CHEMBL373150
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Basic Information
| ChEMBL ID | CHEMBL373150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSAPVTUEGDPTEC-BTXSVYSASA-N |
4
Targets
8
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
0.52
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.12 | 6.9633 | 7.5 | 3 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 8.11 | 6.8333 | 7.7 | 3 |
| HEK293 CHEMBL614818 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.583 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.5 | nM | 8.12 | Inhibition of chymotrypsin-like activity of rabbit 20S proteasome | 18939815 |
| Oryctolagus cuniculus | IC50 | = | 7.7 | nM | 8.11 | Inhibition of chymotrypsin-like (CT-L) activity of rabbit 20S proteasome | 15916417 |
| Oryctolagus cuniculus | IC50 | = | 340.0 | nM | 6.47 | Inhibition of trypsin-like (T-L) activity of rabbit 20S proteasome | 15916417 |
| Unchecked | IC50 | = | 370.0 | nM | 6.43 | Inhibition of trypsin-like activity of rabbit 20S proteasome | 18939815 |
| Unchecked | IC50 | = | 460.0 | nM | 6.34 | Inhibition of caspase-like activity of rabbit 20S proteasome | 18939815 |
| HEK293 | IC50 | = | 850.0 | nM | 6.07 | Inhibition of NF-kB activation in HEK293 cells | 15916417 |
| Oryctolagus cuniculus | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of caspase-like (CA-L) activity of rabbit 20S proteasome | 15916417 |
| RPMI-8226 | IC50 | = | 8500.0 | nM | 5.07 | Cytotoxic activity against RPMI 8226 cells | 15916417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18939815 | 10.1021/jm800548b | Unchecked | 4 |
| 15916417 | 10.1021/jm048995+ | Oryctolagus cuniculus | 3 |
| 15916417 | 10.1021/jm048995+ | RPMI-8226 | 1 |
| 15916417 | 10.1021/jm048995+ | HEK293 | 1 |
| 18939815 | 10.1021/jm800548b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine