Details of the Drug

General Information of Drug (ID: DM88IBE)

Drug Name

APD418

Synonyms

Vemtoberant; 2169905-68-2; vemtoberant [INN]; 4IJ6WR3BW8; APD418; SCHEMBL19707104; APD-418; BDBM484072; EX-A7995; US10927123, Compound 310; HY-148804; CS-0641193; 1-ethyl-3-((R)-3-((S)-2- hydroxy-3-(3- (methylsulfonyl)phenoxy) propylamino)-1-oxa- 8-azaspiro[4.5]decan-8- ylsulfonyl)quinolin- 4(1H)-one; 1-ethyl-3-[(3R)-3-({(2S)-2-hydroxy-3-[3- (methanesulfonyl)phenoxy]propyl}amino)-1-oxa-8- azaspiro[4.5]decane-8-sulfonyl]quinolin-4(1H)-one

Indication

Disease Entry	ICD 11	Status	REF
Heart failure with reduced ejection fraction	BD11.2	Phase 2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C29H37N3O8S2
Canonical SMILES: CCN1C=C(C(=O)C2=CC=CC=C21)S(=O)(=O)N3CCC4(CC3)CC(CO4)NCC(COC5=CC(=CC=C5)S(=O)(=O)C)O
InChI: InChI=1S/C29H37N3O8S2/c1-3-31-18-27(28(34)25-9-4-5-10-26(25)31)42(37,38)32-13-11-29(12-14-32)16-21(19-40-29)30-17-22(33)20-39-23-7-6-8-24(15-23)41(2,35)36/h4-10,15,18,21-22,30,33H,3,11-14,16-17,19-20H2,1-2H3/t21-,22+/m1/s1
InChIKey: PVXLIOIISUUKOQ-YADHBBJMSA-N

Cross-matching ID

PubChem CID: 132225057
TTD ID: DFS18G

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Antagonist	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Heart failure with reduced ejection fraction

ICD Disease Classification

BD11.2

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor beta-3 (ADRB3)	DTT	ADRB3	7.81E-01	0.02	0.16

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT05139615) A Phase 2, Multicenter, Randomized, Double-Blind, Placebo-Controlled Study to Assess the Hemodynamic Effects, Safety, Tolerability, and Pharmacokinetics of APD418 in Subjects With Heart Failure With Reduced Ejection Fraction. U.S.National Institutes of Health.
2	Intravenous Infusion of the beta(3)-Adrenergic Receptor Antagonist APD418 Improves Left Ventricular Systolic Function in Dogs With Systolic Heart Failure. J Card Fail. 2021 Feb;27(2):242-252.