Compound Detail
CHEMBL415467
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL415467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVIPDPNCURSLKO-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
5.17
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
| Leishmania major CHEMBL612879 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 59.0 | nM | 7.23 | Inhibition of recombinant LSD1 ( unknown origin) expressed in Escherichia coli B... | 37542989 |
| L1210 | IC50 | = | 180.0 | nM | 6.75 | Inhibitory concentration to reduce the growth of L1210 cells by 50% after 70 hr.... | 3820217 |
| Plasmodium falciparum | IC50 | = | 400.0 | nM | 6.4 | Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... | 8182707 |
| Jurkat | IC50 | = | 1500.0 | nM | 5.82 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
| Leishmania major | IC50 | = | 1500.0 | nM | 5.82 | Concentration required to reduce incorporation of [3H]TdR in drug-treated cultur... | 9258370 |
| Jurkat | IC50 | = | 1500.0 | nM | 5.82 | Concentration required to reduce growth of human jurkat leukemia cells to 50% of... | 8182707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258370 | 10.1021/jm970232h | Leishmania major | 2 |
| 7205885 | 10.1021/jm00134a009 | Nucleic Acid | 2 |
| 7205885 | 10.1021/jm00134a009 | Mus musculus | 2 |
| 8182707 | 10.1021/jm00036a014 | Jurkat | 2 |
| 3820217 | 10.1021/jm00386a006 | L1210 | 2 |
| 9258370 | 10.1021/jm970232h | No relevant target | 1 |
| 9258370 | 10.1021/jm970232h | Jurkat | 1 |
| 7205885 | 10.1021/jm00134a009 | No relevant target | 1 |
| 7205885 | 10.1021/jm00134a009 | Calf thymus DNA | 1 |
| 8182707 | 10.1021/jm00036a014 | Plasmodium falciparum | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 7069706 | 10.1021/jm00345a015 | No relevant target | 1 |
| 37542989 | 10.1016/j.ejmech.2023.115684 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine