ITRACONAZOLE Next Previous

ChEMBL ID CHEMBL22587
PubChem CID 55283
DrugBank Accession Number DB01167
ClinicalTrials ITRACONAZOLE
Molecular Formula C35H38Cl2N8O4
Inchikey VHVPQPYKVGDNFY-ZPGVKDDISA-N

Smiles
CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4

Synonyms
ITRACONAZOLE, Itraconazole, ONMEL, R 51,211, R-51211, SPORANOX, Sporanos, Sporanox

Libraries
O'Brien, ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 2
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 705.63
Rotatable Bonds 11
Acidic pKa (ACD) -
Basic pKa (ACD) 6.47
LogP (ACD) 5.0
LogD (ACD) 4.93
ALogP 6.43
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