HEXAMIDINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D08AC04
UNII: 3483C2H13H

Structure
InChI Key OQLKNTOKMBVBKV-UHFFFAOYSA-N
Smile N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1
InChI
InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N4O2
Molecular Weight 354.45
AlogP 3.27
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 118.2
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - 14400 -
Epigenetic regulator Writer Protein methyltransferase Protein arginine methyltransferase
- 52000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 87184
ChEMBL CHEMBL25105
DrugBank DB03808
DrugCentral 3275
EPA CompTox DTXSID60191524
FDA SRS 3483C2H13H
PDB DID
PubChem 65130
SureChEMBL SCHEMBL144738
ZINC ZINC000001705403
CONTENTS