Compound Detail
CHEMBL4554334
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CN(C)c1c(N(C)CCCNC(=S)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c(=O)c1=O
Basic Information
| ChEMBL ID | CHEMBL4554334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDGICUGXDIMFAE-RYUDHWBXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
560.7
MW (Da)
-2.34
ALogP
11
HBA
6
HBD
211.5
PSA (Ų)
0.07
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1584.89 | nM | 5.8 | Activation of Keap1/Cul3/Nrf2 in human BEAS2B cells assessed as increase in NQO1... | 30626555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30626555 | 10.1016/j.bmc.2018.12.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine