Compound Detail
CHEMBL4651180
PULRODEMSTAT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4651180 |
| Name | PULRODEMSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NBAIXBAUHIQQGF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
3.20
ALogP
7
HBA
1
HBD
97.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 9.6 | 9.56 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 0.25 | nM | 9.6 | Inhibition of LSD1 (unknown origin) | 37014989 |
| Lysine-specific histone demethylase 1A | IC50 | = | 0.3 | nM | 9.52 | Inhibition of LSD1 (unknown origin) | 36537915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36856685 | 10.1021/acs.jmedchem.2c01593 | Lysine-specific histone demethylase 1A | 1 |
| 36537915 | 10.1021/acs.jmedchem.2c01324 | Lysine-specific histone demethylase 1A | 1 |
| 37014989 | 10.1021/acs.jmedchem.2c01527 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine