Compound Detail
CHEMBL5270361
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Cn1c(C(=O)CC(=O)Nc2cccc3c2CCCN3Cc2ccc(OC3CCNCC3)cc2)cc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5270361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPUGOBSSVHSLLD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
5.47
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.15 | 5.15 | 7020.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.12 | 5.12 | 7610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 820.0 | nM | 6.09 | Inhibition of LSD1 (unknown origin) | 34915312 |
| MCF7 | IC50 | = | 7020.0 | nM | 5.15 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 34915312 |
| A549 | IC50 | = | 7610.0 | nM | 5.12 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 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 | A549 | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine