Compound Detail
CHEMBL315530
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Basic Information
| ChEMBL ID | CHEMBL315530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSDMAKAJBGXVLZ-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
341.5
MW (Da)
5.98
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.62
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| HT-22 CHEMBL614316 | EC50 | 6.13 | 5.65 | 740.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 79.0 | nM | 7.1 | Inhibition of recombinant LSD1 ( unknown origin) expressed in Escherichia coli B... | 37542989 |
| NON-PROTEIN TARGET | EC50 | = | 240.0 | nM | 6.62 | Antiprion activity against scrapie prion protein RML infected mouse ScN2a cells ... | 18556207 |
| Leishmania major | IC50 | = | 400.0 | nM | 6.4 | Concentration required to reduce incorporation of [3H]TdR in drug-treated cultur... | 9258370 |
| HT-22 | EC50 | = | 740.0 | nM | 6.13 | Neuroprotective activity in mouse HT22 cells assessed as protection against glut... | 24602904 |
| Jurkat | IC50 | = | 1000.0 | nM | 6.0 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
| HT-22 | EC50 | = | 6830.0 | nM | 5.17 | Cytotoxicity against mouse HT22 cells after 24 hrs by MTT assay | 24602904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258370 | 10.1021/jm970232h | Leishmania major | 2 |
| 18556207 | 10.1016/j.bmc.2008.05.060 | NON-PROTEIN TARGET | 2 |
| 24602904 | 10.1016/j.bmcl.2014.02.006 | HT-22 | 2 |
| 24602904 | 10.1016/j.bmcl.2014.02.006 | NON-PROTEIN TARGET | 2 |
| 9258370 | 10.1021/jm970232h | No relevant target | 1 |
| 9258370 | 10.1021/jm970232h | Jurkat | 1 |
| 9258370 | 10.1021/jm970232h | Leishmania donovani | 1 |
| 9258370 | 10.1021/jm970232h | Trypanosoma cruzi | 1 |
| 9258370 | 10.1021/jm970232h | Trypanosoma brucei | 1 |
| 7120279 | 10.1021/jm00350a004 | L1210 | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 18556207 | 10.1016/j.bmc.2008.05.060 | ScN2a | 1 |
| 37542989 | 10.1016/j.ejmech.2023.115684 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine