Compound Detail
CHEMBL4293744
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Basic Information
| ChEMBL ID | CHEMBL4293744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVMSEHYFILAQSS-INIZCTEOSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.19
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 8.4 | 7.985 | 4.0 | 2 |
| LoVo CHEMBL614721 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 5.2 | 5.2 | 6260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 4.0 | nM | 8.4 | Cytotoxicity against human SKOV3 cells assessed as inhibition of cell proliferat... | 30429975 |
| SK-OV-3 | IC50 | = | 27.0 | nM | 7.57 | Cytotoxicity against arrested non-proliferative human SKOV3 cells assessed as in... | 30429975 |
| LoVo | IC50 | = | 130.0 | nM | 6.89 | Cytotoxicity against human LoVo cells assessed as inhibition of cell proliferati... | 30429975 |
| Unchecked | IC50 | = | 1680.0 | nM | 5.78 | Cytotoxicity against human CCD39Lu cells assessed as inhibition of cell prolifer... | 30429975 |
| MCF7 | IC50 | = | 4900.0 | nM | 5.31 | Cytotoxicity against human MCF7 cells assessed as inhibition of cell proliferati... | 30429975 |
| MDA-MB-231 | IC50 | = | 5000.0 | nM | 5.3 | Cytotoxicity against human MDA-MB-231 cells assessed as inhibition of cell proli... | 30429975 |
| DLD-1 | IC50 | = | 6260.0 | nM | 5.2 | Cytotoxicity against human DLD1 cells assessed as inhibition of cell proliferati... | 30429975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30429975 | 10.1039/C8MD00352A | SK-OV-3 | 2 |
| 30429975 | 10.1039/C8MD00352A | Aspergillus niger | 2 |
| 30429975 | 10.1039/C8MD00352A | Aspergillus versicolor | 2 |
| 30429975 | 10.1039/C8MD00352A | Paecilomyces variotii | 2 |
| 30429975 | 10.1039/C8MD00352A | Talaromyces funiculosus | 2 |
| 30429975 | 10.1039/C8MD00352A | Trichoderma viride | 2 |
| 30429975 | 10.1039/C8MD00352A | Penicillium cyclopium | 2 |
| 30429975 | 10.1039/C8MD00352A | Aureobasidium pullulans | 2 |
| 30429975 | 10.1039/C8MD00352A | Chaetomium globosum | 2 |
| 30429975 | 10.1039/C8MD00352A | MCF7 | 1 |
| 30429975 | 10.1039/C8MD00352A | MDA-MB-231 | 1 |
| 30429975 | 10.1039/C8MD00352A | DLD-1 | 1 |
| 30429975 | 10.1039/C8MD00352A | LoVo | 1 |
| 30429975 | 10.1039/C8MD00352A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine