Details of the Drug

General Information of Drug (ID: DM0WOS6)

Drug Name

BELFOSDIL

Synonyms

103486-79-9; 2-(2-Phenoxyethyl)-1,3-propylenediphosphonic acid tetrabutyl ester; BMY-21891; Belfosdil < Rec INN; SR-7037

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

548.6

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

24

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C27H50O7P2
IUPAC Name: [4-dibutoxyphosphoryl-3-(dibutoxyphosphorylmethyl)butoxy]benzene
Canonical SMILES: CCCCOP(=O)(CC(CCOC1=CC=CC=C1)CP(=O)(OCCCC)OCCCC)OCCCC
InChI: InChI=1S/C27H50O7P2/c1-5-9-19-31-35(28,32-20-10-6-2)24-26(18-23-30-27-16-14-13-15-17-27)25-36(29,33-21-11-7-3)34-22-12-8-4/h13-17,26H,5-12,18-25H2,1-4H3
InChIKey: QTBMDDQRDDABNC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Determination of belfosdil, a new calcium channel blocker, in human plasma by capillary gas chromatography with nitrogen-phosphorus detection. J Chromatogr. 1990 May 18;527(2):343-50.