Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 637C487Y09

Structure

InChI Key CATMPQFFVNKDEY-YPMHNXCESA-N
Smile N[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O
InChI
InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N3O5
Molecular Weight 333.34
AlogP 0.47
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 145.51
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Stomatitis 2 D013280 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2103812
DrugBank DB05475
EPA CompTox DTXSID10177474
FDA SRS 637C487Y09
PubChem 6992140
SureChEMBL SCHEMBL727944
ZINC ZINC000001549362