Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMDITNB)

Drug Name

BERGAPTOL Drug Info

Synonyms

Bergaptol; 486-60-2; 5-Hydroxypsoralen; 4-Hydroxy-7H-furo[3,2-g]chromen-7-one; 5-Hydroxyfuranocoumarin; Psoralin, 5-hydroxy-; UNII-KTC8ANI30F; 4-Hydroxybergapten; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-hydroxy-; NSC341958; KTC8ANI30F; 4-oxidanylfuro[3,2-g]chromen-7-one; NSC 341958; 5-Hydroxy-6,7-furanocoumarin; CHEMBL242711; CHEBI:17377; GIJHDGJRTUSBJR-UHFFFAOYSA-N; 4-hydroxyfuro[3,2-g]chromen-7-one; AK158894; Bergaptols; 5-Hydroxy-Psoralen; 5-Hydroxyfurocoumarin; AC1NQWYH; 5-HYDROXY-PSORALIN; 7H-Furo[3, 4-hydroxy-; BSPBio_002390

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 5280371
ChEBI ID: CHEMBL242711
CAS Number: CAS 486-60-2
TTD Drug ID: DMDITNB

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Clinical Trial Drug(s)

Investigative Drug(s)

Download the Complete Related Drug List

Drug(s) Targeting Albendazole monooxygenase (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[2]
PMX-53	DMZUAJ4	Atopic dermatitis	EA80	Phase 2	[3]
BMS-536924	DMXJB4N	Discovery agent	N.A.	Investigative	[4]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[5]
ML-3163	DM3S5UC	Discovery agent	N.A.	Investigative	[6]
6-(3-Hydroxy-phenyl)-naphthalen-2-ol	DMH8WA2	Discovery agent	N.A.	Investigative	[7]
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole	DMZVBPG	Discovery agent	N.A.	Investigative	[8]
ML-3375	DMXJY6W	Discovery agent	N.A.	Investigative	[6]
ML-3403	DMTQWI8	Discovery agent	N.A.	Investigative	[6]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol	DM7ERYJ	Discovery agent	N.A.	Investigative	[9]
------------------------------------------------------------------------------------


⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Albendazole monooxygenase (CYP3A4)	TTXV4FI	CP3A4_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

References

1	Radical scavenging and cytochrome P450 3A4 inhibitory activity of bergaptol and geranylcoumarin from grapefruit. Bioorg Med Chem. 2007 Jun 1;15(11):3684-91.
2	Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. Eur J Med Chem. 2008 Aug;43(8):1621-31.
3	Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92.
4	Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)py... J Med Chem. 2008 Oct 9;51(19):5897-900.
5	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
6	Novel substituted pyridinyl imidazoles as potent anticytokine agents with low activity against hepatic cytochrome P450 enzymes. J Med Chem. 2003 Jul 17;46(15):3230-44.
7	Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors... J Med Chem. 2008 Apr 10;51(7):2158-69.
8	Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active hi... J Med Chem. 2010 May 13;53(9):3840-4.
9	New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxyst... J Med Chem. 2009 Nov 12;52(21):6724-43.