Compound Detail
CHEMBL3585495
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Basic Information
| ChEMBL ID | CHEMBL3585495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCYXCBNGVNZKNC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
2.44
ALogP
7
HBA
0
HBD
75.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.74 | 4.74 | 18020.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.7 | 4.7 | 19930.0 | 1 |
| AGS CHEMBL613860 | IC50 | 4.67 | 4.67 | 21400.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 18020.0 | nM | 4.74 | Antiproliferative activity against human HeLa cells incubated for 72 hrs by MTT ... | - |
| NON-PROTEIN TARGET | IC50 | = | 19930.0 | nM | 4.7 | Antiproliferative activity against human SKHep cells incubated for 72 hrs by MTT... | - |
| AGS | IC50 | = | 21400.0 | nM | 4.67 | Antiproliferative activity against human AGS cells incubated for 72 hrs by MTT a... | - |
| NCI-H1299 | IC50 | = | 30000.0 | nM | 4.52 | Antiproliferative activity against human H1299 cells incubated for 72 hrs by MTT... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00133H | NON-PROTEIN TARGET | 2 |
| - | 10.1039/C4MD00133H | Detroit 551 | 1 |
| - | 10.1039/C4MD00133H | NCI-H1299 | 1 |
| - | 10.1039/C4MD00133H | MDA-MB-231 | 1 |
| - | 10.1039/C4MD00133H | AGS | 1 |
| - | 10.1039/C4MD00133H | SAS | 1 |
| - | 10.1039/C4MD00133H | HeLa | 1 |
Data from ChEMBL 36 via Core Engine