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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)