VAFIDEMSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LZ82JLT4UP

Structure
InChI Key XBBRLCXCBCZIOI-DLBZAZTESA-N
Smile Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1
InChI
InChI=1S/C19H20N4O2/c20-19-23-22-18(25-19)11-21-17-10-16(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2,(H2,20,23)/t16-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20N4O2
Molecular Weight 336.4
AlogP 2.88
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 86.2
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 73 - - -
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase
- 0.14-1.6 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Borderline Personality Disorder 2 D001883 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4802155
FDA SRS LZ82JLT4UP
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