Details of the Drug

General Information of Drug (ID: DMPBA0D)

Drug Name
Sofpironium bromide
Synonyms
BBI-4000; 1628106-94-4; Sofpironium bromide [USAN]; CHEMBL3707223; Sofpironium bromide (JAN/USAN/INN); D10989; Pyrrolidinium, 3-(((2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy)-1-(2-ethoxy-2-oxoethyl)-1-methyl-, bromide (1:1), (3R)-
Indication
Disease Entry ICD 11 Status REF
Primary axillary hyperhidrosis EE00.01 Phase 3 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 470.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C22H32BrNO5
IUPAC Name
[(3R)-1-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide
Canonical SMILES
CCOC(=O)C[N+]1(CC[C@H](C1)OC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]
InChI
InChI=1S/C22H32NO5.BrH/c1-3-27-20(24)16-23(2)14-13-19(15-23)28-21(25)22(26,18-11-7-8-12-18)17-9-5-4-6-10-17;/h4-6,9-10,18-19,26H,3,7-8,11-16H2,1-2H3;1H/q+1;/p-1/t19-,22+,23?;/m1./s1
InChIKey
FIAFMTCUJCWADZ-JOFREBOKSA-M
Cross-matching ID
PubChem CID
86301316
CAS Number
1628106-94-4
TTD ID
D0VK9O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholinergic receptor unspecific (CHR) TTUPDWN NOUNIPROTAC Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03627468) A Safety Study of BBI-4000 Gel in Patients With Axillary Hyperhidrosis. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)