AR-42

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E0GG29V0AQ

Structure
InChI Key LAMIXXKAWNLXOC-INIZCTEOSA-N
Smile CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1
InChI
InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20N2O3
Molecular Weight 312.37
AlogP 3.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 78.43
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 16 - - 72
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 16 - - 0
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 16 - - 100
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 16 - - -
Unclassified protein
- - - - 93

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 1 D009101 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 935881-37-1
ChEMBL CHEMBL191482
DrugBank DB12707
EPA CompTox DTXSID4042678
FDA SRS E0GG29V0AQ
PDB QCP
SureChEMBL SCHEMBL2348844
ZINC ZINC000013671721
CONTENTS