TOLNAFTATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D01AE18
UNII: 06KB629TKV

Structure
InChI Key FUSNMLFNXJSCDI-UHFFFAOYSA-N
Smile Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1
InChI
InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17NOS
Molecular Weight 307.42
AlogP 4.95
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 51 Cytochrome P450 family 51A Cytochrome P450 51A1
- 50000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 119

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Eczema 3 D004485 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 9620
ChEMBL CHEMBL83668
DrugBank DB00525
DrugCentral 3617
EPA CompTox DTXSID3042477
FDA SRS 06KB629TKV
Human Metabolome Database HMDB0005005
PharmGKB PA164752438
PubChem 5510
SureChEMBL SCHEMBL3520
ZINC ZINC000000057522
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