Compound Detail
CHEMBL5422998
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Basic Information
| ChEMBL ID | CHEMBL5422998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSIWUODOHJGCRM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
5.07
ALogP
6
HBA
1
HBD
66.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.39 | 8.365 | 4.1 | 2 |
| NCI-H1417 CHEMBL2366149 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 2.9 | nM | 8.54 | Antiproliferative activity against human MV4-11 cells assessed as cell growth in... | 37849536 |
| Lysine-specific histone demethylase 1A | IC50 | = | 4.1 | nM | 8.39 | LSD1 Activity: Human recombinant LSD1 protein expressed in E. coli cells was pur... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 4.6 | nM | 8.34 | Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3K4me2... | 37849536 |
| NCI-H1417 | IC50 | = | 9.3 | nM | 8.03 | Antiproliferative activity against human NCI-H1417 cells assessed as cell growth... | 37849536 |
| MOLM-13 | IC50 | = | 170.0 | nM | 6.77 | Antiproliferative activity against human MOLM-13 cells assessed as cell growth i... | 37849536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37849536 | 10.1021/acsmedchemlett.3c00292 | Lysine-specific histone demethylase 1A | 1 |
| 37849536 | 10.1021/acsmedchemlett.3c00292 | MOLM-13 | 1 |
| 37849536 | 10.1021/acsmedchemlett.3c00292 | MV4-11 | 1 |
| 37849536 | 10.1021/acsmedchemlett.3c00292 | NCI-H1417 | 1 |
Data from ChEMBL 36 via Core Engine