Synonyms: | |
Status: | Approved (2005) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C05AD02 |
UNII: | 0619F35CGV |
InChI Key | GKCBAIGFKIBETG-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
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 |
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 |