General Information of Drug (ID: DM3OEP4)

Drug Name
ML221 Drug Info
Synonyms
ML221; 877636-42-5; ML 221; CHEMBL2158347; ML-221; 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate; [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-nitrobenzoate; AC1OHVTH; MLS003389520; GTPL6282; SCHEMBL17326564; CHEBI:92965; AOB1262; MolPort-003-127-646; ZINC4377282; BCP28945; BDBM50393964; AKOS016372065; MCULE-7007021256; SB19613; AS-16633; SMR002078184; HY-103254; CS-0026651; J3.654.307H; MLS-0437359.0002; MLS-0437359.0001; AB00687545-01; SR-01000020403; SR-01000020403-1; F2510-0124
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Cross-matching ID
PubChem CID
7217941
ChEBI ID
CHEBI:92965
TTD Drug ID
DM3OEP4

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
Drug Status:
Clinical Trial Drug(s)
Investigative Drug(s)
Drug(s) Targeting Apelin receptor (APLNR)
Drug Name Drug ID Indication ICD 11 Highest Status REF
AMG 986 DMZQ2DK Heart failure BD10-BD13 Phase 1 [3]
apelin-13 DM2CKUZ Discovery agent N.A. Investigative [4]
ML233 DM8CIE4 Discovery agent N.A. Investigative [5]
E339-3D6 DMGPRT7 Discovery agent N.A. Investigative [6]

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Apelin receptor (APLNR) TTJ8E43 APJ_HUMAN Antagonist [2]

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6282).
2 Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of the apelin (APJ) receptor. Bioorg Med Chem Lett. 2012 Nov 1;22(21):6656-60.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Structural and functional study of the apelin-13 peptide, an endogenous ligand of the HIV-1 coreceptor, APJ. Biochemistry. 2003 Sep 2;42(34):10163-8.
5 Functional Agonists of the Apelin (APJ) Receptor. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010.
6 Identification and pharmacological properties of E339-3D6, the first nonpeptidic apelin receptor agonist. FASEB J. 2010 May;24(5):1506-17.