Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D01AE23
UNII: 91Y494NL0X

Structure

InChI Key ABJKWBDEJIDSJZ-UHFFFAOYSA-N
Smile CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
InChI
InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27N
Molecular Weight 317.48
AlogP 5.77
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 76000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tinea Pedis 1 D014008 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3238
ChEMBL CHEMBL990
DrugBank DB01091
DrugCentral 444
EPA CompTox DTXSID7040657
FDA SRS 91Y494NL0X
Human Metabolome Database HMDB0015223
KEGG C08067
PharmGKB PA164745478
PubChem 2484
SureChEMBL SCHEMBL65526
ZINC ZINC000001530975