Compound Detail
CHEMBL2206427
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Basic Information
| ChEMBL ID | CHEMBL2206427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBFSPVPOZNQSBP-RZLSGREXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.4
MW (Da)
3.01
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 9900.0 | nM | 5.0 | Cytotoxicity against human HL60 cells after 18 hrs by annexin-V labeling-based f... | 22985027 |
| NON-PROTEIN TARGET | IC50 | = | 10200.0 | nM | 4.99 | Cytotoxicity against human HL60/A cells after 18 hrs by annexin-V labeling-based... | 22985027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22985027 | 10.1021/jm301064b | NON-PROTEIN TARGET | 5 |
| 22985027 | 10.1021/jm301064b | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine