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 : 5ALR ligand complex structure of human soluble epoxide hydrolase
Protein : human-EPHX2
References (1)
| Title : Successful generation of structural information for fragment-based drug discovery - Oster_2015_Drug.Discov.Today_20_1104 |
| Author(s) : Oster L , Tapani S , Xue Y , Kack H |
| Ref : Drug Discov Today , 20 :1104 , 2015 |
| Abstract : Oster_2015_Drug.Discov.Today_20_1104 |
| ESTHER : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedSearch : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedID: 25931264 |
| Gene_locus related to this paper: human-EPHX2 |