Details of the Drug

General Information of Drug (ID: DM5TQ2O)

Drug Name
Galangin
Synonyms
Galangin; 548-83-4; Norizalpinin; 3,5,7-Trihydroxyflavone; 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one; 3,5,7-triOH-Flavone; UNII-142FWE6ECS; 3,5,7-Trihydroxy-2-phenyl-4-benzopyrone; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-; EINECS 208-960-4; NSC407229; FLAVONE, 3,5,7-TRIHYDROXY-; NSC 407229; NSC-407229; 4H-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-; BRN 0272179; 142FWE6ECS; 3,5,7-trihydroxy-2-phenylchromen-4-one; CHEBI:5262; CHEMBL309490; VCCRNZQBSJXYJD-UHFFFAOYSA-N; 3,5,7-trihydroxy-2-phenyl-4H-benzopyran-4-one
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) 270.24
Topological Polar Surface Area (xlogp) 2.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H10O5
IUPAC Name
3,5,7-trihydroxy-2-phenylchromen-4-one
Canonical SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
InChIKey
VCCRNZQBSJXYJD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5281616
ChEBI ID
CHEBI:5262
CAS Number
548-83-4
TTD ID
D0Y7HG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A2a receptor (ADORA2A) TTM2AOE AA2AR_HUMAN Inhibitor [2]
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [3]
Cytochrome P450 1B1 (CYP1B1) TTI84H7 CP1B1_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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5 A role for central A3-adenosine receptors. Mediation of behavioral depressant effects. FEBS Lett. 1993 Dec 20;336(1):57-60.
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19 The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
20 Adenosine A1/A2a receptor agonist AMP-579 induces acute and delayed preconditioning against in vivo myocardial stunning. Am J Physiol Heart Circ Physiol. 2004 Dec;287(6):H2746-53.
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22 Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors. J Med Chem. 2002 Jan 3;45(1):160-4.