PROPAMIDINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D08AC03
UNII: G20G12V769

Structure
InChI Key WTFXJFJYEJZMFO-UHFFFAOYSA-N
Smile N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1
InChI
InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N4O2
Molecular Weight 312.37
AlogP 2.1
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 118.2
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - 3500 -
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 5540 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acanthamoeba Keratitis 3 D015823 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 87462
ChEMBL CHEMBL23013
DrugBank DB13296
DrugCentral 3493
EPA CompTox DTXSID6048674
FDA SRS G20G12V769
PDB TNT
PubChem 64949
SureChEMBL SCHEMBL231060
ZINC ZINC000001665564
CONTENTS