Details of the Drug

General Information of Drug (ID: DM7R145)

Drug Name

Oteseconazole

Synonyms

Otesaconazole; 1340593-59-0; VT-1161; UNII-VHH774W97N; VHH774W97N; CHEMBL3311228; (R)-2-(2,4-Difluorophenyl)-1,1-Difluoro-3-(1h-Tetrazol-1-Yl)-1-(5-(4-(2,2,2-Trifluoroethoxy)phenyl)pyridin-2-Yl)propan-2-Ol; Oteseconazole [USAN]; Oteseconazole (USAN/INN); SCHEMBL17113021; BDBM50046187; WHO 10138; DB13055; SB17420; HY-17643; CS-0016914; D11785; Q27291837; (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl}propan-2-ol; (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol; 2-Pyridineethanol, alpha-(2,4-difluorophenyl)-beta,beta-difluoro-alpha-(1H-tetrazol-1-ylmethyl)-5-(4-(2,2,2-trifluoroethoxy)phenyl)-, (alphaR)-

Indication

Disease Entry	ICD 11	Status	REF
Vulvovaginal Candidiasis	1F23.10	Approved	[1]
Onychomycosis	EE12.1	Phase 2	[2]
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Affected Organisms

Candida albicans and other yeasts

ATC Code

J02AC06: Oteseconazole

J02AC: Triazole and tetrazole derivatives

J02A: ANTIMYCOTICS FOR SYSTEMIC USE

J02: ANTIMYCOTICS FOR SYSTEMIC USE

J: ANTIINFECTIVES FOR SYSTEMIC USE

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

527.4

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C23H16F7N5O2
IUPAC Name: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol
Canonical SMILES: C1=CC(=CC=C1C2=CN=C(C=C2)C([C@](CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC(F)(F)F
InChI: InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/t21-/m0/s1
InChIKey: IDUYJRXRDSPPRC-NRFANRHFSA-N

Cross-matching ID

PubChem CID: 77050711
CAS Number: 1340593-59-0
UNII: VHH774W97N
DrugBank ID: DB13055
TTD ID: DM8BN1

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Cytochrome P450 51 (Candi ERG11)	TTTSOUD	CP51_CANAL	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	FDA Approved Drug Products from FDA Official Website. 2022. Application Number: 215888.
2	ClinicalTrials.gov (NCT02267356) A Study to Evaluate the Efficacy and Safety of Oral VT-1161 in Patients With Onychomycosis of the Toenail. U.S. National Institutes of Health.
3	Efficacy of the clinical agent VT-1161 against fluconazole-sensitive and -resistant Candida albicans in a murine model of vaginal candidiasis. Antimicrob Agents Chemother. 2015 Sep;59(9):5567-73.