ARASERTACONAZOLE

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Synonyms:	Arasertaconazole Sertaconazole, (r)-
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	PR82C5R514

Structure


InChI Key	JLGKQTAYUIMGRK-IBGZPJMESA-N
Smile	Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
InChI	InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H15Cl3N2OS
Molecular Weight	437.78
AlogP	7.02
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	6.0
Polar Surface Area	27.05
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	27.0

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Candidiasis, Vulvovaginal	2	D002181	ClinicalTrials

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Cross References

Resources	Reference
ChEBI	83685
ChEMBL	CHEMBL1410877
EPA CompTox	DTXSID00207032
FDA SRS	PR82C5R514
PubChem	6604451
SureChEMBL	SCHEMBL4356263
ZINC	ZINC000002016037

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