Compound Detail
CHEMBL4802155
VAFIDEMSTAT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4802155 |
| Name | VAFIDEMSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XBBRLCXCBCZIOI-DLBZAZTESA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
6
Publications
2
Known Names
2
Indications
Molecular Properties
336.4
MW (Da)
2.88
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Alzheimer Disease Borderline Personality Disorder
Activity Summary
IC50 4 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 9.85 | 9.15 | 0.1 | 3 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 22.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 0.14 | nM | 9.85 | Inhibition of KDM1A (unknown origin) | 35101649 |
| Lysine-specific histone demethylase 1A | IC50 | = | 1.6 | nM | 8.8 | Inhibition of LSD1 (unknown origin) | 36537915 |
| Lysine-specific histone demethylase 1A | IC50 | = | 1.6 | nM | 8.8 | Inhibition of human recombinant LSD1 using H3K4me2 as peptide substrate incubate... | 38043489 |
| Amine oxidase [flavin-containing] B | IC50 | = | 73.0 | nM | 7.14 | Inhibition of MAO-B (unknown origin) | 38214982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35101649 | 10.1016/j.ejmech.2022.114143 | Lysine-specific histone demethylase 1A | 1 |
| 36537915 | 10.1021/acs.jmedchem.2c01324 | Lysine-specific histone demethylase 1A | 1 |
| 37086699 | 10.1016/j.ejmech.2023.115367 | Lysine-specific histone demethylase 1A | 1 |
| 38043489 | 10.1016/j.ejmech.2023.115999 | Lysine-specific histone demethylase 1A | 1 |
| 38214982 | 10.1021/acs.jmedchem.3c02133 | Amine oxidase [flavin-containing] B | 1 |
| 38214982 | 10.1021/acs.jmedchem.3c02133 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine