Compound Detail
CHEMBL2402877
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Basic Information
| ChEMBL ID | CHEMBL2402877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKLOKWXEPRNITG-XMHGGMMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
5.74
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WM-115 CHEMBL1075611 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WM-115 | IC50 | = | 27400.0 | nM | 4.56 | Cytotoxicity against human WM115 cells after 46 hrs by MTT assay | 23756061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23756061 | 10.1016/j.bmcl.2013.05.044 | NALM-6 | 1 |
| 23756061 | 10.1016/j.bmcl.2013.05.044 | HL-60 | 1 |
| 23756061 | 10.1016/j.bmcl.2013.05.044 | WM-115 | 1 |
| 23756061 | 10.1016/j.bmcl.2013.05.044 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine