Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: UX17773O15

Structure

InChI Key TUWMKPVJGGWGNL-UHFFFAOYSA-N
Smile C=Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC
InChI
InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H27N5O5
Molecular Weight 513.55
AlogP 3.77
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 10.0
Polar Surface Area 167.49
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Plasma kallikrein inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Angioedemas, Hereditary 3 D054179 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 918407-35-9
ChEMBL CHEMBL4297502
DrugBank DB12120
FDA SRS UX17773O15
PDB DJY
PubChem 86566678
SureChEMBL SCHEMBL17513082