Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01GB14
UNII: LYO9XZ250J

Structure

InChI Key IYDYFVUFSPQPPV-PEXOCOHZSA-N
Smile CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O
InChI
InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H48N6O10
Molecular Weight 592.69
AlogP -5.36
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 13.0
Polar Surface Area 269.29
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 41.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pyelonephritis 3 D011704 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 1154757-24-0
ChEMBL CHEMBL1650559
DrugBank DB12615
DrugCentral 5287
FDA SRS LYO9XZ250J
Guide to Pharmacology 10847
PDB EDS
PubChem 42613186
SureChEMBL SCHEMBL11928040
ZINC ZINC000068150640