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]
------------------------------------------------------------------------------------

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
DrugBank ID: DB13055
TTD ID: DM8BN1

Repurposed Drugs (RPD)

Click to Jump to the Detailed RPD Information of This Drug

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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.