HEXETIDINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A01AB12
UNII: 852A84Y8LS

Structure
InChI Key DTOUUUZOYKYHEP-UHFFFAOYSA-N
Smile CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1
InChI
InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H45N3
Molecular Weight 339.61
AlogP 4.71
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 32.5
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 94339
ChEMBL CHEMBL144673
DrugBank DB08958
DrugCentral 3277
EPA CompTox DTXSID1045297
FDA SRS 852A84Y8LS
PubChem 3607
SureChEMBL SCHEMBL56672
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