Details of the Drug

General Information of Drug (ID: DMLS269)

Drug Name

E-1224

Synonyms

BMS-292655; BMS-315801; BMS-379224; Ravuconazole prodrugs, BMS; Ravuconazole back-up compounds, Eisai; Ravuconazole prodrug (fungal infection), Brain Factory; Ravuconazole prodrugs, Bristol-Myers Squibb

Indication

Disease Entry	ICD 11	Status	REF
Fungal infection	1F29-1F2F	Phase 2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

273.14

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C15H20BNO3
IUPAC Name: 1-[3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-yl]ethanone
Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/C2=C(N=CC=C2)C(=O)C
InChI: InChI=1S/C15H20BNO3/c1-11(18)13-12(7-6-10-17-13)8-9-16-19-14(2,3)15(4,5)20-16/h6-10H,1-5H3/b9-8+
InChIKey: DAQLKAUMCVWOCH-CMDGGOBGSA-N

Cross-matching ID

PubChem CID: 57416740
TTD ID: D01ZBF

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	[2]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01489228) Proof-of-Concept Study of E1224 to Treat Adult Patients With Chagas Disease. U.S. National Institutes of Health.
2	Recent Developments in Sterol 14-demethylase Inhibitors for Chagas Disease. Int J Parasitol Drugs Drug Resist. 2012 Dec;2:236-242.