Compound Detail
CHEMBL4877927
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Basic Information
| ChEMBL ID | CHEMBL4877927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGIVPNWLNOPUPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
3.55
ALogP
8
HBA
2
HBD
118.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 6.12 | 6.12 | 758.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 758.0 | nM | 6.12 | Antiproliferative activity against human U-937 cells assessed as cell growth inh... | 34454126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34454126 | 10.1016/j.ejmech.2021.113790 | U-937 | 1 |
| 34454126 | 10.1016/j.ejmech.2021.113790 | A549 | 1 |
| 34454126 | 10.1016/j.ejmech.2021.113790 | MGC-803 | 1 |
| 34454126 | 10.1016/j.ejmech.2021.113790 | HepG2 | 1 |
| 34454126 | 10.1016/j.ejmech.2021.113790 | MCF7 | 1 |
| 34454126 | 10.1016/j.ejmech.2021.113790 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine