ARAMCHOL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QE1Q24M65Y

Structure
InChI Key SHKXZIQNFMOPBS-OOMQYRRCSA-N
Smile CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(=O)O
InChI
InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H79NO5
Molecular Weight 702.12
AlogP 10.61
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 23.0
Polar Surface Area 106.86
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 50.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Non-alcoholic Fatty Liver Disease 3 D065626 ClinicalTrials
Non-alcoholic Fatty Liver Disease 3 D065626 ClinicalTrials
Gallstones 2 D042882 ClinicalTrials
Fatty Liver 2 D005234 ClinicalTrials
Liver Cirrhosis 2 D008103 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 246529-22-6
ChEMBL CHEMBL4297262
DrugBank DB11860
EPA CompTox DTXSID90179395
FDA SRS QE1Q24M65Y
PubChem 18738120
SureChEMBL SCHEMBL548961
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