Compound Detail
CHEMBL4453814
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL4453814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOAVWEGYPJRGCF-BZSNNMDCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
1.80
ALogP
4
HBA
3
HBD
104.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 6.87 | 6.87 | 136.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.41 | 4.41 | 39100.0 | 1 |
| BE(2)-C CHEMBL4483229 | IC50 | 4.21 | 4.21 | 61300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 20S proteasome | IC50 | = | 136.0 | nM | 6.87 | Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured ever... | 31801019 |
| HeLa | IC50 | = | 39100.0 | nM | 4.41 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 31801019 |
| BE(2)-C | IC50 | = | 61300.0 | nM | 4.21 | Antiproliferative activity against human BE(2)-C cells assessed as reduction in ... | 31801019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31801019 | 10.1021/acs.jmedchem.9b01694 | BE(2)-C | 4 |
| 31801019 | 10.1021/acs.jmedchem.9b01694 | HeLa | 4 |
| 31801019 | 10.1021/acs.jmedchem.9b01694 | Candida albicans | 4 |
| 31801019 | 10.1021/acs.jmedchem.9b01694 | Unchecked | 1 |
| 31801019 | 10.1021/acs.jmedchem.9b01694 | 20S proteasome | 1 |
Data from ChEMBL 36 via Core Engine