Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 08379P260O

Structure

InChI Key KPWYNAGOBXLMSE-UHFFFAOYSA-N
Smile CCCc1c(SCCCOc2ccc(C(C)=O)c(OCCCC(=O)O)c2CCC)ccc(C(C)=O)c1O
InChI
InChI=1S/C29H38O7S/c1-5-9-23-25(14-12-22(20(4)31)29(23)36-16-7-11-27(32)33)35-17-8-18-37-26-15-13-21(19(3)30)28(34)24(26)10-6-2/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H38O7S
Molecular Weight 530.68
AlogP 6.51
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 17.0
Polar Surface Area 110.13
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 37.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Idiopathic Pulmonary Fibrosis 2 D054990 ClinicalTrials
Hypertriglyceridemia 2 D015228 ClinicalTrials
Cystitis, Interstitial 2 D018856 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 125961-82-2
ChEMBL CHEMBL2104988
DrugBank DB12435
FDA SRS 08379P260O
PubChem 9893228
SureChEMBL SCHEMBL154898
ZINC ZINC000003796820