Compound Detail
CHEMBL5192649
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Basic Information
| ChEMBL ID | CHEMBL5192649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJWGRRDZWNSOEA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
4.17
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.07 | 4.07 | 84510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 84510.0 | nM | 4.07 | Cytotoxicity against human A549 cells assessed as cell growth inhibition | 35809817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35809817 | 10.1016/j.bmcl.2022.128880 | Adenosylhomocysteinase | 2 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | MCF7 | 1 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | A549 | 1 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | HeLa | 1 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | MGC-803 | 1 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | L02 | 1 |
Data from ChEMBL 36 via Core Engine