Compound Detail
CHEMBL2333788
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Basic Information
| ChEMBL ID | CHEMBL2333788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZPARIIPCPBWHJ-VTHIMXSSSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.8
MW (Da)
7.25
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.08
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.4 | 6.25 | 400.0 | 2 |
| IMR-90 CHEMBL612577 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| A2058 CHEMBL613503 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2058 | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human A2058 cells after 96 hrs by CellTiter-Glo luminescent... | 23368996 |
| NON-PROTEIN TARGET | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human H460 cells after 96 hrs by CellTiter-Glo luminescent ... | 23368996 |
| IMR-90 | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human IMR90 cells after 96 hrs by CellTiter-Glo luminescent... | 23368996 |
| NON-PROTEIN TARGET | IC50 | = | 800.0 | nM | 6.1 | Cytotoxicity against human H522-T1 cells after 96 hrs by CellTiter-Glo luminesce... | 23368996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23368996 | 10.1021/np3008446 | A2058 | 2 |
| 23368996 | 10.1021/np3008446 | NON-PROTEIN TARGET | 2 |
| 23368996 | 10.1021/np3008446 | IMR-90 | 1 |
Data from ChEMBL 36 via Core Engine