Compound Detail
CHEMBL4297641
SECLIDEMSTAT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4297641 |
| Name | SECLIDEMSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MVSQDUZRRVBYLA-HYARGMPZSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
3
Known Names
10
Indications
Molecular Properties
450.9
MW (Da)
2.14
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Desmoplastic Small Round Cell Tumor Fibroma Fibrosarcoma Histiocytoma Liposarcoma, Myxoid Myoepithelioma Neoplasms Sarcoma Sarcoma, Clear Cell Sarcoma, Ewing
Activity Summary
IC50 6 meas. best 7.89
Ki 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.89 | 7.6733 | 13.0 | 6 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | Ki | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 13.0 | nM | 7.89 | Inhibition of LSD1 (unknown origin) | 35820351 |
| Lysine-specific histone demethylase 1A | IC50 | = | 13.0 | nM | 7.89 | Inhibition of LSD1 (unknown origin) | 36537915 |
| Lysine-specific histone demethylase 1A | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21 (DE3) us... | 38214982 |
| Lysine-specific histone demethylase 1A | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21 (DE3) me... | 38214982 |
| Lysine-specific histone demethylase 1A | IC50 | = | 26.2 | nM | 7.58 | Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3K4me2... | 37849536 |
| Lysine-specific histone demethylase 1A | Ki | = | 31.0 | nM | 7.51 | Inhibition of LSD1 (unknown origin) assessed as inhibition constant by peroxidas... | 36537915 |
| Lysine-specific histone demethylase 1A | IC50 | = | 127.0 | nM | 6.9 | Inhibition of LSD1 (unknown origin) | 37014989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36537915 | 10.1021/acs.jmedchem.2c01324 | Lysine-specific histone demethylase 1A | 2 |
| 38214982 | 10.1021/acs.jmedchem.3c02133 | Lysine-specific histone demethylase 1A | 2 |
| 35820351 | 10.1016/j.ejmech.2022.114564 | Lysine-specific histone demethylase 1A | 1 |
| 37014989 | 10.1021/acs.jmedchem.2c01527 | Lysine-specific histone demethylase 1A | 1 |
| 37849536 | 10.1021/acsmedchemlett.3c00292 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine