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Inhibitor Report for: 5ALR-8TM

IC50 <86 nM


General
Type Sulfur Compound, Trifluoro, Quinazoline
Chemical_Nomenclature N-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine
Canonical SMILES C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)SC(F)(F)F
InChI InChI=1S/C15H10F3N3S/c16-15(17,18)22-11-7-5-10(6-8-11)21-14-12-3-1-2-4-13(12)19-9-20-14/h1-9H,(H,19,20,21)
InChIKey PZIHZHOJKADIKG-UHFFFAOYSA-N
Other name(s) N-[4-(Trifluoromethylsulfanyl)phenyl]quinazolin-4-Amine ; Q27456911 ; 8TM
________________________________________________________________________________________________
MW|321.3
Formula|C15H10F3N3S
CAS_number|
PubChem|91754983
UniChem|PZIHZHOJKADIKG-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 5ALR-8TM ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 5ALR: ligand complex structure of soluble epoxide hydrolase
Protein | human-EPHX2

References:
Search PubMed for references concerning: 5ALR-8TM
    Title: Successful generation of structural information for fragment-based drug discovery
    Oster L, Tapani S, Xue Y, Kack H
    Ref: Drug Discov Today, 20:1104, 2015 : PubMed