Details of the Drug

General Information of Drug (ID: DM1XJBE)

Drug Name

OLPADRONIC ACID SODIUM SALT

Synonyms

Dimethyl-APD; IG-8801; Olpadronic acid sodium salt; 3-(Dimethylamino)-1-hydroxypropylidene-1,1-diphosphonic acid monosodium salt

Indication

Disease Entry	ICD 11	Status	REF
Bone resorption	FC0Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

285.1

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C5H14NNaO7P2
IUPAC Name: sodium;[3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]-hydroxyphosphinate
Canonical SMILES: CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+]
InChI: InChI=1S/C5H15NO7P2.Na/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13;/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13);/q;+1/p-1
InChIKey: DXTIBTHCHBZFJG-UHFFFAOYSA-M

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Geranyltranstransferase (FDPS)	TTIKWV4	FPPS_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Bone resorption

ICD Disease Classification

FC0Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Geranyltranstransferase (FDPS)	DTT	FDPS	7.06E-03	-0.73	-2.57

Molecular Expression Atlas (MEA)

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References

1	Nitrogen-containing bisphosphonates inhibit isopentenyl pyrophosphate isomerase/farnesyl pyrophosphate synthase activity with relative potencies corresponding to their antiresorptive potencies in vitro and in vivo. Biochem Biophys Res Commun. 1999 Feb 16;255(2):491-4.