Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4W6JDK2PLY

Structure

InChI Key FYJLDICZGDFWKP-UHFFFAOYSA-N
Smile CCCCCCCCCCCCCCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)OCC)o1
InChI
InChI=1S/C26H43NO7/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-32-25-18-17-22(34-25)26(30)33-21-23(28)27(3)20-24(29)31-5-2/h17-18H,4-16,19-21H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H43NO7
Molecular Weight 481.63
AlogP 5.54
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 20.0
Polar Surface Area 95.28
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Acetyl-CoA carboxylase inhibitor PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 3 D000152 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1261491-89-7
ChEMBL CHEMBL3989947
DrugBank DB12642
FDA SRS 4W6JDK2PLY
PubChem 89497391
SureChEMBL SCHEMBL14856848