Details of the Drug | DrugMAP

General Information of Drug (ID: DMI1Y92)

Drug Name	FUSIDIENOL
Synonyms	Fusidienol; CHEMBL35732; 157173-61-0; AC1NUTDT; SCHEMBL9139208; DTXSID10166222; BDBM50059880; methyl 7-hydroxy-3-(hydroxymethyl)-6-oxooxepino[2,3-b]chromene-5-carboxylate; 1-Hydroxy-8-hydroxymethyl-11-oxo-11H-5,6-dioxa-cyclohepta[b]naphthalene-10-carboxylic acid methyl ester; 1-Hydroxy-8-hydroxymethyl-11-oxo-11H-5,6-dioxa-cyclohepta[b]naphthalene-10-carboxylic acid methyl ester(fusidienol)
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			316.26
	Logarithm of the Partition Coefficient (xlogp)			1.1
	Rotatable Bond Count (rotbonds)			3
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C16H12O7 IUPAC Name methyl 7-hydroxy-3-(hydroxymethyl)-6-oxooxepino[2,3-b]chromene-5-carboxylate Canonical SMILES COC(=O)C1=CC(=COC2=C1C(=O)C3=C(C=CC=C3O2)O)CO InChI InChI=1S/C16H12O7/c1-21-15(20)9-5-8(6-17)7-22-16-12(9)14(19)13-10(18)3-2-4-11(13)23-16/h2-5,7,17-18H,6H2,1H3 InChIKey LJNGMSGIOXTZLN-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 5492684 CAS Number 157173-61-0 TTD ID D03FZA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
CAAX farnesyltransferase beta (FNTB)	TT7WZIJ	FNTB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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References

1	Modeling of binding modes and inhibition mechanism of some natural ligands of farnesyl transferase using molecular docking. J Med Chem. 2002 Mar 28;45(7):1460-5.