Structure

InChI Key GKCBAIGFKIBETG-UHFFFAOYSA-N
Smile CCCCNc1ccc(C(=O)OCCN(C)C)cc1
InChI
InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24N2O2
Molecular Weight 264.37
AlogP 2.62
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 41.57
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker ISBN PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Cyclic nucleotide-regulated channel
- - 6800-12000 - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 56-7510 - 500-12000 72

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cataract 3 D002386 ClinicalTrials
Shoulder Impingement Syndrome 2 D019534 ClinicalTrials
Tendinopathy 2 D052256 ClinicalTrials
Skin Diseases 2 D012871 ClinicalTrials
Neuralgia, Postherpetic 2 D051474 ClinicalTrials
Wounds and Injuries 2 D014947 ClinicalTrials
Carpal Tunnel Syndrome 2 D002349 ClinicalTrials
Myofascial Pain Syndromes 2 D009209 ClinicalTrials
Osteoarthritis 1 D010003 ClinicalTrials

Related Entries

Salt
Mixture

Cross References

Resources Reference
CAS NUMBER 94-24-6
ChEBI 9468
ChEMBL CHEMBL698
DrugBank DB09085
DrugCentral 2610
EPA CompTox DTXSID1043883
FDA SRS 0619F35CGV
KEGG C07526
PDB TE4
PubChem 5411
SureChEMBL SCHEMBL34714
ZINC ZINC000001530811