Compound Detail
CHEMBL388217
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Basic Information
| ChEMBL ID | CHEMBL388217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKXNPABBUOFKCC-JXMROGBWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.20
ALogP
4
HBA
1
HBD
80.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.24 | 4.9867 | 5800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5800.0 | nM | 5.24 | Cytotoxicity against human HL60 cells by MTT assay | 25091929 |
| NON-PROTEIN TARGET | IC50 | = | 6900.0 | nM | 5.16 | Cytotoxicity against human NALM6 cells by MTT assay | 25091929 |
| NON-PROTEIN TARGET | IC50 | = | 27600.0 | nM | 4.56 | Cytotoxicity against human WM115 cells by MTT assay | 25091929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25091929 | 10.1016/j.bmcl.2014.07.027 | NON-PROTEIN TARGET | 3 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | TK-10 | 1 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | MCF7 | 1 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | HT-29 | 1 |
| - | 10.1007/s00044-010-9305-6 | Culex quinquefasciatus | 1 |
Data from ChEMBL 36 via Core Engine