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]
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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
CAS Number: 724709-68-6
TTD ID: D0H1EI

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.