Tiratricol-derivative-8h
General
Type : Urea derivative,Thyroid hormone analogue
Chemical_Nomenclature : N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]propanamide
Canonical SMILES : CCC(=O)NC1=CC(=C(C(=C1)Cl)OC2=CC(=C(C=C2)O)C3=CC=C(C=C3)NC(=O)N)Cl
InChI : InChI=1S\/C22H19Cl2N3O4\/c1-2-20(29)26-14-9-17(23)21(18(24)10-14)31-15-7-8-19(28)16(11-15)12-3-5-13(6-4-12)27-22(25)30\/h3-11,28H,2H2,1H3,(H,26,29)(H3,25,27,30)
InChIKey : ULXKYEOCXYPCJV-UHFFFAOYSA-N
Other name(s) : CHEMBL3824249,BDBM50184990,N-(4-{[4'-(Carbamoylamino)-6-Hydroxybiphenyl-3-Yl]oxy}-3,5-Dichlorophenyl)propanamide,64O
MW : 460.31
Formula : C22H19Cl2N3O4
CAS_number :
PubChem : 119025613
UniChem : ULXKYEOCXYPCJV-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Tiratricol-derivative-8h ligand of proteins in family: CFTR-inhibitory-factor_Cif
Stucture : 5HK9 Crystal structure of the CFTR inhibitory factor Cif bound to an urea inhibitor
Protein : pseae-PA2934
References (1)
| Title : Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa - Kitamura_2016_J.Med.Chem_59_4790 |
| Author(s) : Kitamura S , Hvorecny KL , Niu J , Hammock BD , Madden DR , Morisseau C |
| Ref : Journal of Medicinal Chemistry , 59 :4790 , 2016 |
| Abstract : Kitamura_2016_J.Med.Chem_59_4790 |
| ESTHER : Kitamura_2016_J.Med.Chem_59_4790 |
| PubMedSearch : Kitamura_2016_J.Med.Chem_59_4790 |
| PubMedID: 27120257 |
| Gene_locus related to this paper: pseae-PA2934 |