Compound Detail
CHEMBL2177862
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Basic Information
| ChEMBL ID | CHEMBL2177862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YADKEMSSYKJABZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
2.31
ALogP
6
HBA
1
HBD
69.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.09
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-9 | IC50 | = | 8140.0 | nM | 5.09 | Cytotoxicity against human PC9 cells assessed as growth inhibition by MTT assay | 27769034 |
| A549 | IC50 | = | 9740.0 | nM | 5.01 | Cytotoxicity against human A549 cells assessed as growth inhibition by MTT assay | 27769034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27769034 | 10.1016/j.ejmech.2016.10.021 | ECa-109 cell line | 2 |
| 27769034 | 10.1016/j.ejmech.2016.10.021 | MGC-803 | 2 |
| 27769034 | 10.1016/j.ejmech.2016.10.021 | A549 | 2 |
| 27769034 | 10.1016/j.ejmech.2016.10.021 | PC-9 | 2 |
| 22621375 | 10.1021/jm300157n | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 22621375 | 10.1021/jm300157n | Dihydroorotate dehydrogenase | 1 |
| 27769034 | 10.1016/j.ejmech.2016.10.021 | Lysine-specific histone demethylase 1A | 1 |
| 30780087 | 10.1016/j.ejmech.2019.02.039 | Lysine-specific histone demethylase 1A | 1 |
| 30739825 | 10.1016/j.ejmech.2019.01.075 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine