Details of the Drug

General Information of Drug (ID: DMIZJ8M)

Drug Name
Psoralen
Synonyms
Psoralen; 66-97-7; 7H-Furo[3,2-g]chromen-7-one; Ficusin; Furocoumarin; Psoralene; 7H-Furo[3,2-g][1]benzopyran-7-one; Psorline-P; 6,7-Furanocoumarin; furo[3,2-g]chromen-7-one; Furo[3,2-g]coumarin; Furo(4',5',6,7)coumarin; Furo(2',3',7,6)coumarin; Furo(3,2-g)-coumarin; Furo[4',5':6,7]coumarin; Furo[2',3':7,6]coumarin; NSC 404562; UNII-KTZ7ZCN2EX; 7H-Furo(3,2-g)(1)benzopyran-7-one; 7H-Furo[3,2-g]benzopyran-7-one; CCRIS 4343; Furo[2'.3':7.6]coumarin; HSDB 3528; KTZ7ZCN2EX; EINECS 200-639-7; 6-Hydroxy-5-benzofuranacrylic acid beta-lacto
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 186.16
Topological Polar Surface Area (xlogp) 2.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H6O3
IUPAC Name
furo[3,2-g]chromen-7-one
Canonical SMILES
C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
InChI
InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKey
ZCCUUQDIBDJBTK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6199
ChEBI ID
CHEBI:27616
CAS Number
66-97-7
TTD ID
D00VUI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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18 Ladostigil: a novel multimodal neuroprotective drug with cholinesterase and brain-selective monoamine oxidase inhibitory activities for Alzheimer's disease treatment. Curr Drug Targets. 2012 Apr;13(4):483-94.
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20 Proposed structural basis of interaction of piperine and related compounds with monoamine oxidases. Bioorg Med Chem Lett. 2010 Jan 15;20(2):537-40.
21 Phase I clinical trial with desoxypeganine, a new cholinesterase and selective MAO-A inhibitor: tolerance and pharmacokinetics study of escalating single oral doses. Methods Find Exp Clin Pharmacol. 2008 Mar;30(2):141-7.