GEMCABENE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B96UX1DDKS

Structure
InChI Key SDMBRCRVFFHJKR-UHFFFAOYSA-N
Smile CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H30O5
Molecular Weight 302.41
AlogP 3.57
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 83.83
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Hypercholesterolemia 2 D006937 ClinicalTrials
Lipid Metabolism Disorders 2 D052439 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 183293-82-5
ChEMBL CHEMBL2110686
DrugBank DB05123
EPA CompTox DTXSID60171407
FDA SRS B96UX1DDKS
PubChem 157692
SureChEMBL SCHEMBL761631
ZINC ZINC000001893031
CONTENTS