Details of the Drug

General Information of Drug (ID: DMJ2ZFV)

Drug Name

EB-1053

Synonyms

EB 1053; 125946-92-1; Disodium 1-hydroxy-3-(1-pyrrolidinyl)propylidene-1,1-bisphosphonate; AC1L2Y2V; SCHEMBL3067217; DTXSID20154998; Phosphonic acid, (1-hydroxy-3-(1-pyrrolidinyl)propylidene)bis-, disodium salt; disodium (1-hydroxy-1-phosphonato-3-pyrrolidin-1-ylpropyl)phosphonic acid

Indication

Disease Entry	ICD 11	Status	REF
Osteoporosis	FB83.0	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

289.16

Logarithm of the Partition Coefficient (xlogp)

-5.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C7H17NO7P2
IUPAC Name: (1-hydroxy-1-phosphono-3-pyrrolidin-1-ylpropyl)phosphonic acid
Canonical SMILES: C1CCN(C1)CCC(O)(P(=O)(O)O)P(=O)(O)O
InChI: InChI=1S/C7H17NO7P2/c9-7(16(10,11)12,17(13,14)15)3-6-8-4-1-2-5-8/h9H,1-6H2,(H2,10,11,12)(H2,13,14,15)
InChIKey: PMXAPNNYCFBALB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 130822
CAS Number: 125946-92-1
TTD ID: D0B5KE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bone resorption factor (BRF)	TTKOBY0	IBP1_HUMAN ; IBP2_HUMAN ; IBP3_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006406)
2	Disodium 1-hydroxy-3-(1-pyrrolidinyl)-propylidene-1,1-bisphosphonate (EB-1053) is a potent inhibitor of bone resorption in vitro and in vivo. J Bone Miner Res. 1992 Aug;7(8):981-6.