ITRACONAZOLE


SMILES CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
InChIKey VHVPQPYKVGDNFY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 0
Rotatable bonds 11
Molecular weight (Da) 704.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR1 CXCR1 Human Chemokine A pIC50 4.68 5.63 7.0 ChEMBL
CCR4 CCR4 Human Chemokine A pIC50 4.9 5.63 6.7 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pIC50 4.9 5.41 6.1 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pIC50 8.21 8.21 8.21 Drug Central
CCR4 CCR4 Human Chemokine A pIC50 8.17 8.17 8.17 Drug Central
CXCR1 CXCR1 Human Chemokine A pIC50 8.15 8.15 8.15 Drug Central