PRENYLAMINE

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Synonyms
Status
Molecule Category Free-form
ATC C01DX02
UNII K2OH82Z000

Structure

InChI Key IFFPICMESYHZPQ-UHFFFAOYSA-N
Smiles CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
InChI
InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27N
Molecular Weight 329.49
AlogP 5.43
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Calmodulin inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 65 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- - 209 - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 300 - - 98.8
Unclassified protein
- - 500 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - 500 - -
Cavia porcellus
- 300 - - 98.8
Homo sapiens
- 65 - - -
Rattus norvegicus
- - 209 - -
Sus scrofa
- - 400 - -

Target Conservation

Protein: Sodium channel protein type V alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873

Related Entries

Cross References

Resources Reference
ChEBI 8397
ChEMBL CHEMBL24072
DrugBank DB04825
DrugCentral 2261
FDA SRS K2OH82Z000
PubChem 9801
SureChEMBL SCHEMBL182253
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