Bioactive Compound Details

BioIDbio147390
NameTIOCONAZOLE
ChEMBL IDCHEMBL1200438
Molecular FormulaC16H13Cl3N2OS
Molecular Weight387.72
Molecular Weight (Monoisotopic)385.9814
TypeSmall molecule
Max PhasePhase 4
Target IDTar62
Target NameNone
SynonymsNSC-759169|TIOCONAZOL|TIOCONAZOLE|TROSYL|TZ-3|UK-20,349|UK-20349|VAGISTAT-1
SmilesClc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
InchiInChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
Inchi KeyQXHHHPZILQDDPS-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets88.0
Bioactivities191.0
Np Likeness Score-1.18
Records Key['Tioconazole', 'Tioconazole', 'Tioconazole', 'DNDI2251306', 'SID50112684', 'SID170465343', 'TIOCONAZOLE', 'TIOCONAZOLE', 'TIOCONAZOLE', 'TIOCONAZOLE', 'Tioconazole', 'TIOCONAZOLE', 'Tioconazole', 'TIOCONAZOLE', 'Tioconazole', 'Tioconazole', 'SID144205987', 'TIOCONAZOLE', 'Tioconazole', 'TIOCONAZOLE', 'TIOCONAZOLE', 'COVC-1214945970', 'Tioconazole', 'TIOCONAZOLE', 'Tioconazole', 'tioconazole', 'BA1001170']
Records Name['1-(2-Chloro-thiophen-3-yl)-2-(2,4-dichloro-phenyl)-3-imidazol-1-yl-propan-2-ol', 'Tioconazole', 'Tioconazole', None, 'SID50112684', 'SID170465343', 'TIOCONAZOLE', 'TIOCONAZOLE', 'TIOCONAZOLE', 'TIOCONAZOLE', 'Tioconazole', 'TIOCONAZOLE', 'Tioconazole', 'TIOCONAZOLE', 'Tioconazole', 'Tioconazole', 'SID144205987', 'TIOCONAZOLE', 'Tioconazole', 'TIOCONAZOLE', 'TIOCONAZOLE', 'TIOCONAZOLE', 'Tioconazole', 'TIOCONAZOLE', 'Tioconazole', 'tioconazole', 'TIOCONAZOLE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure