ARAMCHOL

Search structure
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 Reference
Fatty Liver; Liver Diseases; Metabolic Syndrome; Non-alcoholic Fatty Liver Disease Phase 2 ClinicalTrials
Fatty Liver; Lipodystrophy; Liver Diseases; Non-alcoholic Fatty Liver Disease Phase 2 ClinicalTrials
Malnutrition Phase 1 ClinicalTrials
Fatty Liver Phase 2/Phase 3 ClinicalTrials
Cholecystolithiasis; Cholelithiasis; Gallstones Phase 2 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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