Compound Detail
CHEMBL1819010
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Basic Information
| ChEMBL ID | CHEMBL1819010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACWFOKGWEGOTTA-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
2.76
ALogP
8
HBA
1
HBD
106.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.19 | 6.0667 | 640.0 | 3 |
| HL60/MX2 CHEMBL4296431 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.82 | 5.82 | 1500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 640.0 | nM | 6.19 | Cytotoxicity against human HL60/MX2 cells after 48 hrs by CellTiter-Blue cell vi... | 21780800 |
| HL60/MX2 | IC50 | = | 640.0 | nM | 6.19 | Cytotoxicity against human HL60/MX2 assessed as inhibition of cell growth incuba... | 37690265 |
| NON-PROTEIN TARGET | IC50 | = | 860.0 | nM | 6.07 | Cytotoxicity against human HL60/MX2 cells assessed as cell growth inhibition aft... | 26867486 |
| NON-PROTEIN TARGET | IC50 | = | 1160.0 | nM | 5.94 | Cytotoxicity against human HL60 cells assessed as cell growth inhibition after 4... | 26867486 |
| HL-60 | IC50 | = | 1500.0 | nM | 5.82 | Cytotoxicity against human HL60 cells after 48 hrs by CellTiter-Blue cell viabil... | 21780800 |
| HL-60 | IC50 | = | 1500.0 | nM | 5.82 | Cytotoxicity against human HL60 cells assessed as cell viability after 48 hrs by... | 22582991 |
| HL-60 | IC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human HL-60 cells assessed as reduction in ce... | 37690265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21780800 | 10.1021/jm200764t | HL-60 | 2 |
| 26867486 | 10.1016/j.bmc.2016.01.056 | NON-PROTEIN TARGET | 2 |
| 21780800 | 10.1021/jm200764t | NON-PROTEIN TARGET | 1 |
| 22582991 | 10.1021/jm300515q | HL-60 | 1 |
| 26867486 | 10.1016/j.bmc.2016.01.056 | HL-60 | 1 |
| 37690265 | 10.1016/j.ejmech.2023.115792 | HL-60 | 1 |
| 37690265 | 10.1016/j.ejmech.2023.115792 | HL60/MX2 | 1 |
Data from ChEMBL 36 via Core Engine