SQUALAMINE LACTATE

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Synonyms
Status
Molecule Category Salt-form
UNII 4WE915J1KX

Structure

InChI Key ZPYIELFRIYUVQP-BHBJEIPNSA-N
Smiles CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCN)CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O.C[C@H](O)C(=O)O.O
InChI
InChI=1S/C34H65N3O5S.C3H6O3.H2O/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35;1-2(4)3(5)6;/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41);2,4H,1H3,(H,5,6);1H2/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-;2-;/m10./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H73N3O9S
Molecular Weight 736.07
AlogP 5.55
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 16.0
Polar Surface Area 133.91
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 43.0

Pharmacology

Mechanism of Action Action Reference
Sodium/hydrogen exchanger 3 inhibitor INHIBITOR PubMed PubMed

Target Conservation

Protein: Sodium/hydrogen exchanger 3
Description: Sodium/hydrogen exchanger 3
Organism : Homo sapiens
P48764 ENSG00000066230

Cross References

Resources Reference
ChEMBL CHEMBL3989689
FDA SRS 4WE915J1KX
PubChem 72734342
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