TOLPERISONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
ATC: M02AX06
UNII: F5EOM0LD8E

Structure
InChI Key FSKFPVLPFLJRQB-UHFFFAOYSA-N
Smile Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
InChI
InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23NO
Molecular Weight 245.37
AlogP 3.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 20.31
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 5

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Muscle Spasticity 2 D009128 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 728-88-1
ChEBI 93835
ChEMBL CHEMBL1076211
DrugBank DB06264
DrugCentral 2703
EPA CompTox DTXSID8023686
FDA SRS F5EOM0LD8E
PubChem 5511
SureChEMBL SCHEMBL148499
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