Compound Detail
CHEMBL113456
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Basic Information
| ChEMBL ID | CHEMBL113456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEBAZRPFMUVCHP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
4.98
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9 CHEMBL614806 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | IC50 | = | 8200.0 | nM | 5.09 | Cytotoxicity against human H9 cells | 11473435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10612592 | 10.1016/s0960-894x(99)00598-3 | KB | 1 |
| 10612592 | 10.1016/s0960-894x(99)00598-3 | A549 | 1 |
| 10612592 | 10.1016/s0960-894x(99)00598-3 | CAKI-1 | 1 |
| 10612592 | 10.1016/s0960-894x(99)00598-3 | MCF7 | 1 |
| 10612592 | 10.1016/s0960-894x(99)00598-3 | 1A9 | 1 |
| 10612592 | 10.1016/s0960-894x(99)00598-3 | HOS | 1 |
| 10612592 | 10.1016/s0960-894x(99)00598-3 | HCT-8 | 1 |
| 10612592 | 10.1016/s0960-894x(99)00598-3 | SK-MEL-2 | 1 |
| 10612592 | 10.1016/s0960-894x(99)00598-3 | U-87 MG | 1 |
| 11473435 | 10.1021/np0101189 | H9 | 1 |
| 11473435 | 10.1021/np0101189 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine