ENSIFENTRINE

Search structure
Synonyms:
Status: Approved (2024)
Entry Type: Small molecule
Molecule Category: Free-form
UNII: 3E3D8T1GIX

Structure
InChI Key CSOBIBXVIYAXFM-BYNJWEBRSA-N
Smile COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CCNC(N)=O)c(=O)n1CC2
InChI
InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)/b29-23+

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H31N5O4
Molecular Weight 477.57
AlogP 2.72
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 112.87
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594287
EPA CompTox DTXSID00183983
FDA SRS 3E3D8T1GIX
SureChEMBL SCHEMBL625876
ZINC ZINC000000602859
CONTENTS