GLUCOSAMINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 750W5330FY
EPA CompTox DTXSID5037236
Parent Compound: GLUCOSAMINE

Structure

InChI Key QKPLRMLTKYXDST-NSEZLWDYSA-N
Smiles Cl.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6?;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14ClNO5
Molecular Weight 215.63
AlogP -3.25
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 116.17
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 60.72-87.62
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 60.72-87.62
Mus musculus
- - - - 64.3

Cross References

Resources Reference
ChEMBL CHEMBL1707007
FDA SRS 750W5330FY
PubChem 91431
SureChEMBL SCHEMBL21213
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