EMERAMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4U7K5X4ANS

Structure
InChI Key JUTBAVRYDAKVGQ-UHFFFAOYSA-N
Smile O=C(NCCS)c1cccc(C(=O)NCCS)c1
InChI
InChI=1S/C12H16N2O2S2/c15-11(13-4-6-17)9-2-1-3-10(8-9)12(16)14-5-7-18/h1-3,8,17-18H,4-7H2,(H,13,15)(H,14,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16N2O2S2
Molecular Weight 284.41
AlogP 1.01
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
None Antioxidant and metal chelator ClinicalTrials

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Mercury Poisoning 2 D008630 ClinicalTrials
beta-Thalassemia 2 D017086 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 351994-94-0
ChEMBL CHEMBL4297510
DrugBank DB12192
EPA CompTox DTXSID10610932
FDA SRS 4U7K5X4ANS
PubChem 21133161
SureChEMBL SCHEMBL3077248
CONTENTS