Compound Detail
CHEMBL49436
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Basic Information
| ChEMBL ID | CHEMBL49436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNVQBBHYPGFSMX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
5.13
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL... | 36913900 |
| Jurkat | IC50 | = | 2700.0 | nM | 5.57 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
| Leishmania major | IC50 | = | 2700.0 | nM | 5.57 | Concentration required to reduce incorporation of [3H]TdR in drug-treated cultur... | 9258370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36913900 | 10.1016/j.ejmech.2023.115255 | Lysine-specific histone demethylase 1A | 2 |
| 9258370 | 10.1021/jm970232h | Leishmania major | 2 |
| 7205885 | 10.1021/jm00134a009 | Nucleic Acid | 2 |
| 7205885 | 10.1021/jm00134a009 | Mus musculus | 2 |
| 671464 | 10.1021/jm00205a013 | Mus musculus | 2 |
| 3820217 | 10.1021/jm00386a006 | L1210 | 2 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 950644 | 10.1021/jm00228a007 | L1210 | 1 |
| 671464 | 10.1021/jm00205a013 | L1210 | 1 |
| 671464 | 10.1021/jm00205a013 | P388 | 1 |
| 671464 | 10.1021/jm00205a013 | Unchecked | 1 |
| 671464 | 10.1021/jm00205a013 | No relevant target | 1 |
| 9258370 | 10.1021/jm970232h | No relevant target | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 7120279 | 10.1021/jm00350a004 | L1210 | 1 |
| 7205885 | 10.1021/jm00134a009 | Calf thymus DNA | 1 |
| 7205885 | 10.1021/jm00134a009 | No relevant target | 1 |
| 9258370 | 10.1021/jm970232h | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine