Synonyms:
Status: Approved (1988)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D01AE22
UNII: 4FB1TON47A

Structure

InChI Key OZGNYLLQHRPOBR-DHZHZOJOSA-N
Smile CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12
InChI
InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21N
Molecular Weight 287.41
AlogP 4.99
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- - - 1500 -
Membrane receptor
- - - 880 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tinea Pedis 3 D014008 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 7451
ChEMBL CHEMBL626
DrugCentral 1872
EPA CompTox DTXSID6048545
FDA SRS 4FB1TON47A
KEGG C08071
PharmGKB PA164748617
PubChem 47641
SureChEMBL SCHEMBL49141
ZINC ZINC000001530977