Compound Detail
CHEMBL2234949
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Basic Information
| ChEMBL ID | CHEMBL2234949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUHCBYWIIPOIQM-MFKUBSTISA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.25
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.26 | 4.26 | 54800.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.25 | 4.25 | 56200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 54800.0 | nM | 4.26 | Cytotoxicity against Homo sapiens (human) HL60/ADR cells assessed as reduction i... | - |
| HL-60 | IC50 | = | 56200.0 | nM | 4.25 | Cytotoxicity against Homo sapiens (human) HL60 cells assessed as reduction in ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9703-4 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-011-9703-4 | HL-60 | 1 |
| - | 10.1007/s00044-011-9703-4 | NALM-6 | 1 |
Data from ChEMBL 36 via Core Engine