ELUBRIXIN TOSYLATE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 13FVR7WD4P

Structure
InChI Key CJAUWWGOABMMJX-UHFFFAOYSA-N
Smile Cc1ccc(S(=O)(=O)O)cc1.O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl
InChI
InChI=1S/C17H17Cl2FN4O4S.C7H8O3S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,21,25H,6-9H2,(H2,22,23,26);2-5H,1H3,(H,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H25Cl2FN4O7S2
Molecular Weight 635.52
AlogP 3.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 110.77
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 1 D029424 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3039524
EPA CompTox DTXSID60242106
FDA SRS 13FVR7WD4P
PubChem 23634419
SureChEMBL SCHEMBL1663270
CONTENTS