Details of the Drug

General Information of Drug (ID: DM28NIU)

Drug Name

diphosphoglycolyl proline

Synonyms

diphosphoglycolyproline; (R,S)-diphosphoglycolyl proline

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)

335.14

Logarithm of the Partition Coefficient (xlogp)

-6.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

7

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C7H15NO10P2
IUPAC Name: 1-(1,2-dihydroxy-2,2-diphosphonoethyl)pyrrolidine-2-carboxylic acid
Canonical SMILES: C1CC(N(C1)C(C(O)(P(=O)(O)O)P(=O)(O)O)O)C(=O)O
InChI: InChI=1S/C7H15NO10P2/c9-5(10)4-2-1-3-8(4)6(11)7(12,19(13,14)15)20(16,17)18/h4,6,11-12H,1-3H2,(H,9,10)(H2,13,14,15)(H2,16,17,18)
InChIKey: CDFDGXYBANXCPC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Diphosphomevalonate decarboxylase (MVD)	TTE5J6X	MVD1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3206).
2	Human mevalonate diphosphate decarboxylase: characterization, investigation of the mevalonate diphosphate binding site, and crystal structure. Arch Biochem Biophys. 2008 Dec 1;480(1):58-67.