Compound Detail
CHEMBL5185075
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Basic Information
| ChEMBL ID | CHEMBL5185075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBIFWMQQYSSLOC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
3.29
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.08 | 4.08 | 82390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 82390.0 | nM | 4.08 | 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