Compound Detail
CHEMBL1819008
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Basic Information
| ChEMBL ID | CHEMBL1819008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRQZJQITFVCXFU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
5.09
ALogP
8
HBA
1
HBD
106.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.5 | 4.5 | 32000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 14100.0 | nM | 4.85 | Cytotoxicity against human HL60/MX2 cells after 48 hrs by CellTiter-Blue cell vi... | 21780800 |
| HL-60 | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against human HL60 cells after 48 hrs by CellTiter-Blue cell viabil... | 21780800 |
| HL-60 | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against human HL60 cells assessed as cell viability after 48 hrs by... | 22582991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21780800 | 10.1021/jm200764t | HL-60 | 2 |
| 21780800 | 10.1021/jm200764t | NON-PROTEIN TARGET | 1 |
| 22582991 | 10.1021/jm300515q | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine