REZATOMIDINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W5LMZ0RC8I

Structure
InChI Key WQXVKEDUCPMRRI-JTQLQIEISA-N
Smile Cc1cccc([C@H](C)c2c[nH]c(=S)[nH]2)c1C
InChI
InChI=1S/C13H16N2S/c1-8-5-4-6-11(9(8)2)10(3)12-7-14-13(16)15-12/h4-7,10H,1-3H3,(H2,14,15,16)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H16N2S
Molecular Weight 232.35
AlogP 3.84
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 31.58
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Irritable Bowel Syndrome 2 D043183 ClinicalTrials
Fibromyalgia 2 D005356 ClinicalTrials
Diabetic Neuropathies 2 D003929 ClinicalTrials
Cystitis, Interstitial 2 D018856 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2107366
DrugBank DB12143
EPA CompTox DTXSID00233811
FDA SRS W5LMZ0RC8I
PubChem 11287722
SureChEMBL SCHEMBL676215
CONTENTS