Compound Detail
CHEMBL4291413
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CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(C(=O)N(C)CCN(C)[C@H]2C[C@@H]2c2ccccc2)cc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4291413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIHIOUAVHQDZMF-AMAPPZPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.8
MW (Da)
7.56
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 90.0 | nM | 7.05 | Inhibition of LSD1 (unknown origin) | 29247860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine