Compound Detail
CHEMBL289352
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Basic Information
| ChEMBL ID | CHEMBL289352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTJBUPXVQDLXRF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
1
PK Parameters
18
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.71
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.12 | 6.12 | 750.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 350.0 | nM | 6.46 | Inhibitory concentration to reduce the growth of L1210 cells by 50% after 70 hr.... | 3820217 |
| Lysine-specific histone demethylase 1A | IC50 | = | 600.0 | nM | 6.22 | Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL... | 36913900 |
| Jurkat | IC50 | = | 750.0 | nM | 6.12 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
| Jurkat | IC50 | = | 750.0 | nM | 6.12 | Concentration required to reduce growth of human jurkat leukemia cells to 50% of... | 8182707 |
| Plasmodium falciparum | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... | 8182707 |
| Leishmania major | IC50 | = | 2100.0 | nM | 5.68 | Concentration required to reduce incorporation of [3H]TdR in drug-treated cultur... | 9258370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6737429 | 10.1021/jm00373a010 | Trypanosoma brucei | 6 |
| 36913900 | 10.1016/j.ejmech.2023.115255 | Lysine-specific histone demethylase 1A | 2 |
| 9258370 | 10.1021/jm970232h | Leishmania major | 2 |
| 950644 | 10.1021/jm00228a007 | L1210 | 2 |
| 7205885 | 10.1021/jm00134a009 | Nucleic Acid | 2 |
| 7205885 | 10.1021/jm00134a009 | Mus musculus | 2 |
| 3820217 | 10.1021/jm00386a006 | L1210 | 2 |
| 8182707 | 10.1021/jm00036a014 | Jurkat | 2 |
| 8182707 | 10.1021/jm00036a014 | Plasmodium falciparum | 1 |
| 894684 | 10.1021/jm00218a001 | Mus musculus | 1 |
| 7069706 | 10.1021/jm00345a015 | No relevant target | 1 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 9258370 | 10.1021/jm970232h | No relevant target | 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