Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: SJ5A8151JO

Structure

InChI Key JGGNOCUEWOGWPL-MUUNZHRXSA-N
Smile CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O
InChI
InChI=1S/C29H60NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-26-28(36-24-20-18-21-29(31)32)27-38-39(33,34)37-25-22-30(2,3)4/h28H,5-27H2,1-4H3,(H-,31,32,33,34)/t28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H60NO8P
Molecular Weight 581.77
AlogP 6.33
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 30.0
Polar Surface Area 114.35
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Monocyte differentiation antigen CD14 inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Colitis, Ulcerative 2 D003093 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 630112-41-3
ChEMBL CHEMBL4297333
DrugBank DB15259
FDA SRS SJ5A8151JO
PubChem 45138527
SureChEMBL SCHEMBL2071230