Compound Detail
CHEMBL4284332
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Basic Information
| ChEMBL ID | CHEMBL4284332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWRLHXYQDDSODE-KRWDZBQOSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
4.58
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 8.05 | 7.63 | 9.0 | 2 |
| DLD-1 CHEMBL614285 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.84 | 5.84 | 1460.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.38 | 5.38 | 4180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 9.0 | nM | 8.05 | Cytotoxicity against human SKOV3 cells assessed as inhibition of cell proliferat... | 30429975 |
| SK-OV-3 | IC50 | = | 62.0 | nM | 7.21 | Cytotoxicity against arrested non-proliferative human SKOV3 cells assessed as in... | 30429975 |
| DLD-1 | IC50 | = | 720.0 | nM | 6.14 | Cytotoxicity against human DLD1 cells assessed as inhibition of cell proliferati... | 30429975 |
| MCF7 | IC50 | = | 1460.0 | nM | 5.84 | Cytotoxicity against human MCF7 cells assessed as inhibition of cell proliferati... | 30429975 |
| LoVo | IC50 | = | 1870.0 | nM | 5.73 | Cytotoxicity against human LoVo cells assessed as inhibition of cell proliferati... | 30429975 |
| Unchecked | IC50 | = | 2170.0 | nM | 5.66 | Cytotoxicity against human CCD39Lu cells assessed as inhibition of cell prolifer... | 30429975 |
| MDA-MB-231 | IC50 | = | 4180.0 | nM | 5.38 | Cytotoxicity against human MDA-MB-231 cells assessed as inhibition of cell proli... | 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