LANOPEPDEN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 12M6KFD07E

Structure
InChI Key SWHNZGMQMGFQGW-MSOLQXFVSA-N
Smile Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCN3CCOC[C@@H]3C2)n1
InChI
InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H34FN7O4
Molecular Weight 479.56
AlogP 0.93
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 123.16
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 12 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 2 D007239 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3301608
DrugBank DB11912
EPA CompTox DTXSID00151006
FDA SRS 12M6KFD07E
PubChem 52918384
SureChEMBL SCHEMBL1189985
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