Details of the Drug

General Information of Drug (ID: DM2OGZ5)

Drug Name
Morin
Synonyms
morin; 480-16-0; Aurantica; Calico Yellow; Al-Morin; Toxylon Pomiferum; Morin hydrate; 2',3,4',5,7-Pentahydroxyflavone; 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; Bois d,Arc; Osage Orange; Osage Orange Extract; Bois d'arc; C.I. Natural Yellow 11; C.I. Natural Yellow 8; Osage Orange Crystals; 3,5,7,2',4'-Pentahydroxyflavone; 3,5,7,2',4'-Pentahydroxyflavonol; 2'-Hydroxypelargidenolon 1522; 2',4',3,5,7-Pentahydroxyflavone; C.I. 75660; Zlut prirodni 11; 2',4',5,7-Tetrahydroxyflavan-3-ol; Bois d'arc [French]
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.23
Topological Polar Surface Area (xlogp) 1.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C15H10O7
IUPAC Name
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Canonical SMILES
C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
InChIKey
YXOLAZRVSSWPPT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5281670
ChEBI ID
CHEBI:75092
CAS Number
480-16-0
TTD ID
D0NJ4H
VARIDT ID
DR00652

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor beta (ESR2) TTOM3J0 ESR2_HUMAN Inhibitor [2]
Fatty acid synthase (FASN) TT7AOUD FAS_HUMAN Inhibitor [3]
Induced myeloid leukemia cell differentiation protein Mcl-1 (MCL1) TTL53M6 MCL1_HUMAN Inhibitor [2]
Plasmodium Beta-hydroxyacyl-ACP dehydratase (Malaria FabZ) TTHPFTS Q965D7_PLAFA Inhibitor [3]
Plasmodium Enoyl-ACP reductase (Malaria fabI) TTNX2CS Q965D5_PLAFA Inhibitor [3]
Plasmodium Oxoacyl-[acyl-carrier protein] reductase (Malaria fabG) TTBE4IR Q965D6_PLAFA Inhibitor [3]
Urate anion exchanger 1 (URAT1) TTA592U S22AC_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Estrogen receptor beta (ESR2) DTT ESR2 2.09E-01 -0.06 -0.17
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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2 In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
3 Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. J Med Chem. 2006 Jun 1;49(11):3345-53.
4 Morin (3,5,7,2',4'-pentahydroxyflavone) exhibits potent inhibitory actions on urate transport by the human urate anion transporter (hURAT1) express... Drug Metab Dispos. 2007 Jun;35(6):981-6.
5 2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections. Bioorg Med Chem. 2010 Nov 1;18(21):7475-85.
6 Phase II study of obatoclax mesylate (GX15-070), a small-molecule BCL-2 family antagonist, for patients with myelofibrosis. Clin Lymphoma Myeloma Leuk. 2010 Aug;10(4):285-9.
7 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
8 Clinical pipeline report, company report or official report of Prelude Therapeutics.
9 Clinical pipeline report, company report or official report of AbbVie.
10 MCL1 inhibitors S63845/MIK665 plus Navitoclax synergistically kill difficult-to-treat melanoma cells. Cell Death Dis. 2020 Jun 8;11(6):443.
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13 Inhibition of fatty acid biosynthesis prevents adipocyte lipotoxicity on human osteoblasts in vitro. J Cell Mol Med. 2010 Apr;14(4):982-91.
14 Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation. ACS Med Chem Lett. 2013 January 10; 4(1): 113-117.
15 Fatty Acid Synthase Inhibitor TVB-2640 Reduces Hepatic de Novo Lipogenesis in Males With Metabolic Abnormalities. Hepatology. 2020 Jul;72(1):103-118.
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18 Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR). J Med Chem. 2007 Feb 22;50(4):765-75.
19 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
20 Lipid biosynthesis as a target for antibacterial agents. Prog Lipid Res. 2001 Nov;40(6):467-97.
21 Functional characterization of beta-ketoacyl-ACP reductase (FabG) from Plasmodium falciparum. Biochem Biophys Res Commun. 2003 Mar 28;303(1):387-92.
22 Differential biochemical and cellular actions of Premarin estrogens: distinct pharmacology of bazedoxifene-conjugated estrogens combination. Mol Endocrinol. 2009 Jan;23(1):74-85.
23 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
24 Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity. J Med Chem. 2007 May 31;50(11):2682-92.
25 Estrogen inhibits the vascular injury response in estrogen receptor beta-deficient female mice. Proc Natl Acad Sci U S A. 1999 Dec 21;96(26):15133-6.
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28 Company report (Axcentua)
29 S-equol, a potent ligand for estrogen receptor beta, is the exclusive enantiomeric form of the soy isoflavone metabolite produced by human intestinal bacterial flora. Am J Clin Nutr. 2005 May;81(5):1072-9.
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33 Clinical pipeline report, company report or official report of Chugai Pharmaceutical (2013).
34 The pathophysiology of hyperuricaemia and its possible relationship to cardiovascular disease, morbidity and mortality. BMC Nephrol. 2013; 14: 164.
35 Urate transporter URAT1 inhibitors: a patent review (2012 - 2015).Expert Opin Ther Pat. 2016 Jul 30:1-10.