Compound Detail
CHEMBL54905
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Basic Information
| ChEMBL ID | CHEMBL54905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IARGEMKPZJEXIY-JTQLQIEISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.19
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 6.56 | 6.41 | 273.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 273.0 | nM | 6.56 | Cytotoxicity against human NCI-H460 cells after 24 hrs under hypoxic condition b... | 29079474 |
| NCI-H460 | IC50 | = | 550.0 | nM | 6.26 | Cytotoxicity against human NCI-H460 cells after 24 hrs under normoxic condition ... | 29079474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969982 | 10.1016/s0960-894x(00)00351-6 | Nucleic Acid | 3 |
| 10969982 | 10.1016/s0960-894x(00)00351-6 | A2780 | 2 |
| 10969982 | 10.1016/s0960-894x(00)00351-6 | Unchecked | 2 |
| 10969982 | 10.1016/s0960-894x(00)00351-6 | CH1 | 2 |
| 29079474 | 10.1016/j.bmcl.2017.10.023 | NCI-H460 | 2 |
| 10969982 | 10.1016/s0960-894x(00)00351-6 | SK-OV-3 | 1 |
| 29079474 | 10.1016/j.bmcl.2017.10.023 | No relevant target | 1 |
| 29079474 | 10.1016/j.bmcl.2017.10.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine