RADAFAXINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q47741214K

Structure
InChI Key RCOBKSKAZMVBHT-TVQRCGJNSA-N
Smile C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
InChI
InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18ClNO2
Molecular Weight 255.74
AlogP 2.27
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 41.49
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- 20000-31000 - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- 20000-31000 - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor delta subunit
- 7600 - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor gamma subunit
- 7600 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 100-9900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 2 D003865 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 192374-14-4
ChEMBL CHEMBL1172928
DrugBank DB11790
FDA SRS Q47741214K
PubChem 9795056
SureChEMBL SCHEMBL48964
ZINC ZINC000005377133
CONTENTS