Compound Detail
CHEMBL5290883
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Basic Information
| ChEMBL ID | CHEMBL5290883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICVJWPVRNSISDZ-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
5.65
ALogP
4
HBA
2
HBD
61.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.47 | 5.47 | 3360.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.39 | 5.39 | 4080.0 | 1 |
| THLE-2 CHEMBL4296500 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.31 | 5.31 | 4870.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.19 | 5.19 | 6470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 61.0 | nM | 7.21 | Inhibition of LSD1 (unknown origin) | 34915312 |
| NCI-H460 | IC50 | = | 1870.0 | nM | 5.73 | Antiproliferative activity against human NCI-H460 cells assessed as cell growth ... | 34915312 |
| MCF7 | IC50 | = | 3360.0 | nM | 5.47 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 34915312 |
| A549 | IC50 | = | 4080.0 | nM | 5.39 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 34915312 |
| THLE-2 | IC50 | = | 4200.0 | nM | 5.38 | Cytotoxicity against human THLE-2 cells assessed as cell growth inhibition | 34915312 |
| THP-1 | IC50 | = | 4870.0 | nM | 5.31 | Antiproliferative activity against human THP-1 cells assessed as cell growth inh... | 34915312 |
| MGC-803 | IC50 | = | 6470.0 | nM | 5.19 | Antiproliferative activity against human MGC-803 cells assessed as cell growth i... | 34915312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34915312 | 10.1016/j.ejmech.2021.114042 | Lysine-specific histone demethylase 1A | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | Unchecked | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | THP-1 | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | A549 | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | MCF7 | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | MGC-803 | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | NCI-H460 | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | THLE-2 | 1 |
Data from ChEMBL 36 via Core Engine