CHEMBL4465514
IC50: 15 nM human-EPHX2
General
Type : Piperidine, Carboxamide, Sulfur Compound, Thiophen
Chemical_Nomenclature : N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide
Canonical SMILES : C1CN(CCC1(F)F)C(=O)NC2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43
InChI : InChI=1S\/C18H16F2N2O3S\/c19-18(20)7-9-22(10-8-18)17(23)21-12-5-6-16-14(11-12)13-3-1-2-4-15(13)26(16,24)25\/h1-6,11H,7-10H2,(H,21,23)
InChIKey : CHISZLOVTPVOGH-UHFFFAOYSA-N
Other name(s) : BDBM50534963 || Q27456466 || 6N0
MW : 378.4
Formula : C18H16F2N2O3S
CAS_number :
PubChem : 91754971
UniChem : CHISZLOVTPVOGH-UHFFFAOYSA-N
Target
Families : CHEMBL4465514 ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (2)
| Title : Exploring serial crystallography for drug discovery - Dunge_2024_IUCrJ__ |
| Author(s) : Dunge A , Phan C , Uwangue O , Bjelcic M , Gunnarsson J , Wehlander G , Kack H , Branden G |
| Ref : IUCrJ , : , 2024 |
| Abstract : |
| PubMedSearch : Dunge_2024_IUCrJ__ |
| PubMedID: 39072424 |
| 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 : |
| PubMedSearch : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedID: 25931264 |
| Gene_locus related to this paper: human-EPHX2 |