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
Logarithm of the Partition Coefficient (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
CHEMBL164660
CAS Number
66-97-7
UNII
KTZ7ZCN2EX
DrugBank ID
DB18665
TTD ID
D00VUI
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cyclic AMP-dependent transcription factor ATF-4 (ATF4) OTRFV19J ATF4_HUMAN Gene/Protein Processing [2]
Cyclic AMP-dependent transcription factor ATF-6 alpha (ATF6) OTAFHAVI ATF6A_HUMAN Gene/Protein Processing [2]
DNA damage-inducible transcript 3 protein (DDIT3) OTI8YKKE DDIT3_HUMAN Gene/Protein Processing [2]
Eukaryotic translation initiation factor 2-alpha kinase 3 (EIF2AK3) OT0DZGY4 E2AK3_HUMAN Post-Translational Modifications [2]
Eukaryotic translation initiation factor 2A (EIF2A) OTWXELQP EIF2A_HUMAN Gene/Protein Processing [2]
Mitogen-activated protein kinase 8 (MAPK8) OTEREYS5 MK08_HUMAN Post-Translational Modifications [2]
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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

1 Inhibition of rat brain monoamine oxidase activities by psoralen and isopsoralen: implications for the treatment of affective disorders. Pharmacol Toxicol. 2001 Feb;88(2):75-80.
2 Psoralen induces hepatic toxicity through PERK and ATF6 related ER stress pathways in HepG2 cells. Toxicol Mech Methods. 2020 Jan;30(1):39-47. doi: 10.1080/15376516.2019.1650150. Epub 2019 Aug 20.