Details of the Drug

General Information of Drug (ID: DMX8DC2)

Drug Name

Homorisedronate

Synonyms

NE 58051; 104261-69-0; NE-58051; CHEMBL293522; [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid); HRX; AC1L2TXU; SCHEMBL8710665; 3-(3-Pyridyl)-1-hydroxypropylidene bisphosphonic acid; (1-Hydroxy-3-(3-pyridinyl)propylidene)bisphosphonic acid; DTXSID70146363; 1-hydroxy-3-(3-pyridyl)propylidene-1,1-bisphosphonic acid; ILROXFQHACCDLA-UHFFFAOYSA-N; BDBM50098382; 3-(3-Hydroxy-3,3-bis-phosphono-propyl)-pyridinium; 3-(3-pyridyl)-1-hydroxy-propane-1,1-bisphosphonate

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): 1

Molecular Weight (mw)

297.14

Logarithm of the Partition Coefficient (xlogp)

-2.8

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C8H13NO7P2
IUPAC Name: (1-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acid
Canonical SMILES: C1=CC(=CN=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O
InChI: InChI=1S/C8H13NO7P2/c10-8(17(11,12)13,18(14,15)16)4-3-7-2-1-5-9-6-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13)(H2,14,15,16)
InChIKey: ILROXFQHACCDLA-UHFFFAOYSA-N