General Information of Drug (ID: DME2A8X)

Drug Name
5-methoxypsoralen
Synonyms 5-MOP
Indication
Disease Entry ICD 11 Status REF
Psoriasis vulgaris EA90 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 216.19
Topological Polar Surface Area (xlogp) 2.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H8O4
IUPAC Name
4-methoxyfuro[3,2-g]chromen-7-one
Canonical SMILES
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
InChI
InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
InChIKey
BGEBZHIAGXMEMV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2355
ChEBI ID
CHEBI:18293
CAS Number
484-20-8
DrugBank ID
DB12216
TTD ID
D0QR5G
INTEDE ID
DR1910

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [2]
Cytochrome P450 2E1 (CYP2E1) DEVDYN7 CP2E1_HUMAN Substrate [3]
Cytochrome P450 1A1 (CYP1A1) DE6OQ3W CP1A1_HUMAN Substrate [3]
Cytochrome P450 2A6 (CYP2A6) DEJVYAZ CP2A6_HUMAN Substrate [3]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [3]
Cytochrome P450 1B1 (CYP1B1) DE9QHP6 CP1B1_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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