Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DMX8BS5)

Drug Name
ELLAGIC ACID Drug Info
Synonyms
ellagic acid; 476-66-4; Benzoaric acid; Lagistase; Eleagic acid; Alizarine Yellow; Elagostasine; 2,3,7,8-Tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione; Ellagic acid dihydrate; Llagic acid; Acide ellagique; Acido elagico; Acidum ellagicum; C.I. 55005; Gallogen (VAN); Gallogen (astringent); C.I. 75270; Ellagate; Ellagic acid [INN:DCF]; UNII-19YRN3ZS9P; Acido elagico [INN-Spanish]; CCRIS 774; Gallogen, astringent; Acide ellagique [INN-French]; Acidum ellagicum [INN-Latin]; MLS000069632; C14H6O8; EINECS 207-508-3; NSC407286; NSC 40728
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Cross-matching ID
PubChem CID
5281855
ChEBI ID
CHEBI:4775
CAS Number
CAS 476-66-4
TTD Drug ID
DMX8BS5

Molecule(s) Related to This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [2]
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [2]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [2]
Carbonic anhydrase IV (CA-IV) TTZHA0O CAH4_HUMAN Inhibitor [2]
Carbonic anhydrase IX (CA-IX) TT2LVK8 CAH9_HUMAN Inhibitor [2]
Carbonic anhydrase VI (CA-VI) TTCFSPE CAH6_HUMAN Inhibitor [2]
Carbonic anhydrase XII (CA-XII) TTSYM0R CAH12_HUMAN Inhibitor [2]
Carbonic anhydrase XIV (CA-XIV) TTEYTKG CAH14_HUMAN Inhibitor [2]
Casein kinase II alpha (CSNK2A1) TTER6YH CSK21_HUMAN Inhibitor [3]
Glycogen synthase kinase-3 beta (GSK-3B) TTRSMW9 GSK3B_HUMAN Inhibitor [4]
Heat shock protein 70 (HSP70) TTHYBIX HS71A_HUMAN; HS71B_HUMAN Inhibitor [5]
Mothers against decapentaplegic homolog 3 (SMAD3) TTHQZV7 SMAD3_HUMAN Inhibitor [5]
Squalene monooxygenase (SQLE) TTE14XG ERG1_HUMAN Inhibitor [1]
Tyrosine-protein kinase SYK (SYK) TTOU65C KSYK_HUMAN Inhibitor [4]

The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule Molecule Type Gene Name Liver Colon Kidney Small Intestine
Carbonic anhydrase XII (CA-XII) DTT CA12 6.015 9.06 10.222 5.773
Glycogen synthase kinase-3 beta (GSK-3B) DTT GSK3B 6.506 6.618 6.514 6.885
Tyrosine-protein kinase SYK (SYK) DTT SYK 3.485 4.618 3.954 5.98
Carbonic anhydrase I (CA-I) DTT CA1 5.564 11.952 6.146 7.235
Carbonic anhydrase XIV (CA-XIV) DTT CA14 6.263 6.538 6.531 6.293
Casein kinase II alpha (CSNK2A1) DTT CSNK2A1 5.162 6.628 6.981 6.144
Squalene monooxygenase (SQLE) DTT SQLE 4.638 5.984 5.744 5.626
Carbonic anhydrase VI (CA-VI) DTT CA6 3.678 5.784 5.19 5.717
Carbonic anhydrase II (CA-II) DTT CA2 8.796 10.933 9.395 9.819
Carbonic anhydrase IX (CA-IX) DTT CA9 5.04 6.156 4.609 6.756
Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glycogen synthase kinase-3 beta (GSK-3B) DTT GSK3B 1.26E-01 -0.23 -0.77
Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1 Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4.
2 Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-2164.
3 Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid. Bioorg Med Chem Lett. 2009 Jun 1;19(11):2920-3.
4 Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application. J Med Chem. 2006 Apr 20;49(8):2363-6.
5 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.