NERIDRONIC ACID

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8U27U3RIN4

Structure
InChI Key PUUSSSIBPPTKTP-UHFFFAOYSA-N
Smile 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
- 388-4600 - 64-440 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Complex Regional Pain Syndromes 3 D020918 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 79778-41-9
ChEBI 135145
ChEMBL CHEMBL55214
DrugBank DB11620
DrugCentral 3377
FDA SRS 8U27U3RIN4
PDB NRD
PubChem 71237
SureChEMBL SCHEMBL87499
ZINC ZINC000001999491
CONTENTS