NU-3

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8BK3483OW5

Structure
InChI Key ZXQBUNYVGNOEBQ-ARFHVFGLSA-N
Smile CCCCOP(=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OP(=O)(O)OCCCC
InChI
InChI=1S/C18H32N2O11P2/c1-4-6-8-27-32(23,24)29-12-15-14(31-33(25,26)28-9-7-5-2)10-16(30-15)20-11-13(3)17(21)19-18(20)22/h11,14-16H,4-10,12H2,1-3H3,(H,23,24)(H,25,26)(H,19,21,22)/t14-,15+,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H32N2O11P2
Molecular Weight 514.41
AlogP 2.37
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 14.0
Polar Surface Area 175.61
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 1 D007239 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297360
DrugBank DB16015
FDA SRS 8BK3483OW5
SureChEMBL SCHEMBL958510
ZINC ZINC000038456904
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