NERIDRONIC ACID

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Synonyms
Status
Molecule Category Free-form
UNII 8U27U3RIN4

Structure

InChI Key PUUSSSIBPPTKTP-UHFFFAOYSA-N
Smiles NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H17NO7P2
Molecular Weight 277.15
AlogP -0.49
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 7.0
Polar Surface Area 161.31
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 388.2 - 63.5-440 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 388.2 - 63.5-415.7 -
Leishmania major
- - - 440 -

Related Entries

Cross References

Resources Reference
ChEBI 135145
ChEMBL CHEMBL55214
DrugBank DB11620
DrugCentral 3377
FDA SRS 8U27U3RIN4
PDB NRD
PubChem 71237
SureChEMBL SCHEMBL87499
ZINC ZINC000001999491
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