Compound Detail
CHEMBL393687
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COC(=O)[C@@H](NCc1cc2ccccc2c(-c2c(O)c(CN[C@H](C(=O)OC)C(C)C)cc3ccccc23)c1O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL393687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOTJVCIZZQAYQZ-KYJUHHDHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
572.7
MW (Da)
5.65
ALogP
8
HBA
4
HBD
117.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | EC50 | = | 130.0 | nM | 6.89 | Photocytotoxicity against UV irradiated human LoVo cells after 24 hrs by MTT ass... | 18047263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18047263 | 10.1021/jm070828x | LoVo | 3 |
| 18047263 | 10.1021/jm070828x | Unchecked | 2 |
| 18047263 | 10.1021/jm070828x | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine