Compound Detail
CHEMBL4472814
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Basic Information
| ChEMBL ID | CHEMBL4472814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMDYFFQWZZKISX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.97
ALogP
8
HBA
1
HBD
82.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.48 | 6.48 | 328.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 328.9 | nM | 6.48 | Antiproliferative activity against human HL60 cells incubated for 48 hrs by MTS ... | 31541870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31541870 | 10.1016/j.ejmech.2019.111679 | HL-60 | 1 |
| 31541870 | 10.1016/j.ejmech.2019.111679 | HCT-116 | 1 |
| 31541870 | 10.1016/j.ejmech.2019.111679 | A549 | 1 |
| 31541870 | 10.1016/j.ejmech.2019.111679 | MCF7 | 1 |
| 31541870 | 10.1016/j.ejmech.2019.111679 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine