Compound Detail
CHEMBL5555593
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CC[C@]1(NC(=O)N(C)C)[C@@H](N)[C@H](Nc2cccc(C(C)=O)c2)[C@](O)(CO)[C@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL5555593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYZKECOZZHCESA-PRHYDEJPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
-0.09
ALogP
7
HBA
6
HBD
148.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MRC5 CHEMBL614181 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MRC5 | IC50 | = | 5.6 | nM | 8.25 | Cytotoxicity against human MRC5 cells assessed as reduction in cell viability | 38232464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38232464 | 10.1016/j.ejmech.2024.116126 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine