Compound Detail
CHEMBL1269256
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Basic Information
| ChEMBL ID | CHEMBL1269256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXJGUBZTZWCMEX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
138.2
MW (Da)
1.71
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-251 CHEMBL615022 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-251 | EC50 | = | 17000.0 | nM | 4.77 | Antiproliferative activity against human U251MG cells after 72 hrs by sulforhoda... | 30568753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30568753 | 10.1039/C8MD00436F | Unchecked | 3 |
| 20851600 | 10.1016/j.bmcl.2010.08.129 | Candida albicans | 1 |
| 20851600 | 10.1016/j.bmcl.2010.08.129 | Candida tropicalis | 1 |
| 20851600 | 10.1016/j.bmcl.2010.08.129 | Pichia kudriavzevii | 1 |
| 20851600 | 10.1016/j.bmcl.2010.08.129 | Cryptococcus neoformans | 1 |
| 20851600 | 10.1016/j.bmcl.2010.08.129 | Aspergillus niger | 1 |
| 20851600 | 10.1016/j.bmcl.2010.08.129 | Aspergillus flavus | 1 |
| 30568753 | 10.1039/C8MD00436F | U-87 MG | 1 |
| 30568753 | 10.1039/C8MD00436F | U-251 | 1 |
Data from ChEMBL 36 via Core Engine