Compound Detail
CHEMBL5396519
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
COC(=O)[C@@]12C(=O)N[C@@H](Cc3ccccc3)[C@@H]1[C@H](C)[C@@](C)(O)[C@@H](O)[C@@H]2CCOCCc1ccc(Br)cc1
Basic Information
| ChEMBL ID | CHEMBL5396519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEJASICOMLBHCR-HSASSQDZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
574.5
MW (Da)
3.29
ALogP
6
HBA
3
HBD
105.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.64 | 4.64 | 22990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 22990.0 | nM | 4.64 | Cytotoxicity against human BLM cells assessed as inhibition of cell growth incub... | 38283219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38283219 | 10.1039/d3md00535f | Unchecked | 2 |
| 38283219 | 10.1039/d3md00535f | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine