Details of the Drug

General Information of Drug (ID: DM3QFCV)

Drug Name
5-(4-Phenylbutoxy)psoralen
Synonyms
4-(4-Phenylbutoxy)furo[3,2-g]chromen-7-one; Psora-4; Psora 4; 724709-68-6; 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one; CHEMBL1256851; 4-(4-Phenylbutoxy)-7H-furo[3,2-g]chromen-7-one; 4-(4-Phenylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one; NCGC00015863-01; Lopac-P-9872; SCHEMBL2801777; GTPL9583; AC1O7G66; CTK8F0317; DTXSID10424970; MolPort-023-277-165; HMS3260K16; ZINC7997390; Psora-4, > Tox21_500137; BDBM50331458; AKOS024458119; LP00137; CCG-204232; NCGC00015863-02; NCGC00015863-03; NCGC00093627-02; NCGC00260822-01; NCGC00093627-01
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) 334.4
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H18O4
IUPAC Name
4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one
Canonical SMILES
C1=CC=C(C=C1)CCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4
InChI
InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2
InChIKey
JJAWGNIQEOFURP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6603977
ChEBI ID
CHEMBL1256851
CAS Number
724709-68-6
TTD ID
D0H1EI
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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
Voltage-gated potassium channel Kv1.3 (KCNA3) TTY3UE6 KCNA3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Kv1.3-blocking 5-phenylalkoxypsoralens: a new class of immunomodulators. Mol Pharmacol. 2004 Jun;65(6):1364-74.