AU1235
Very similar to CHEMBL1818384
General
Type : Adamantyl, Urea derivative
Chemical_Nomenclature : 1-(1-adamantyl)-3-(2,3,4-trifluorophenyl)urea
Canonical SMILES : C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=C(C(=C(C=C4)F)F)F
InChI : InChI=1S\/C17H19F3N2O\/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17\/h1-2,9-11H,3-8H2,(H2,21,22,23)
InChIKey : PYDHHHKUANVSJV-UHFFFAOYSA-N
Other name(s) : CHEMBL1818385 || SCHEMBL18423981 || SCHEMBL18464994 || SCHEMBL18464996
MW : 324.34
Formula : C17H19F3N2O
CAS_number : 1338780-86-1
PubChem : 54752297
UniChem : PYDHHHKUANVSJV-UHFFFAOYSA-N
Target
Families : AU1235 ligand of proteins in family
Epoxide_hydrolase
Protein :
myctu-ephd
References (5)
| Title : Mycobacterial Epoxide Hydrolase EphD Is Inhibited by Urea and Thiourea Derivatives - Madacki_2021_Int.J.Mol.Sci_22_ |
| Author(s) : Madacki J , Kopal M , Jackson M , Kordulakova J |
| Ref : Int J Mol Sci , 22 : , 2021 |
| Abstract : |
| PubMedSearch : Madacki_2021_Int.J.Mol.Sci_22_ |
| PubMedID: 33809178 |
| Gene_locus related to this paper: myctu-ephd |
| Title : From the Design to the In Vivo Evaluation of Benzohomoadamantane-Derived Soluble Epoxide Hydrolase Inhibitors for the Treatment of Acute Pancreatitis - Codony_2021_J.Med.Chem__ |
| Author(s) : Codony S , Calvo-Tusell C , Valverde E , Osuna S , Morisseau C , Loza MI , Brea J , Perez C , Rodriguez-Franco MI , Pizarro-Delgado J , Corpas R , Grinan-Ferre C , Pallas M , Sanfeliu C , Vazquez-Carrera M , Hammock BD , Feixas F , Vazquez S |
| Ref : Journal of Medicinal Chemistry , : , 2021 |
| Abstract : |
| PubMedSearch : Codony_2021_J.Med.Chem__ |
| PubMedID: 33945278 |
| Title : 2-Oxaadamant-1-yl Ureas as Soluble Epoxide Hydrolase Inhibitors: In Vivo Evaluation in a Murine Model of Acute Pancreatitis - Codony_2020_J.Med.Chem_63_9237 |
| Author(s) : Codony S , Pujol E , Pizarro J , Feixas F , Valverde E , Loza MI , Brea JM , Saez E , Oyarzabal J , Pineda-Lucena A , Perez B , Perez C , Rodriguez-Franco MI , Leiva R , Osuna S , Morisseau C , Hammock BD , Vazquez-Carrera M , Vazquez S |
| Ref : Journal of Medicinal Chemistry , 63 :9237 , 2020 |
| Abstract : |
| PubMedSearch : Codony_2020_J.Med.Chem_63_9237 |
| PubMedID: 32787085 |
| Title : Exploring the size of the lipophilic unit of the soluble epoxide hydrolase inhibitors - Codony_2019_Bioorg.Med.Chem_27_115078 |
| Author(s) : Codony S , Valverde E , Leiva R , Brea J , Isabel Loza M , Morisseau C , Hammock BD , Vazquez S |
| Ref : Bioorganic & Medicinal Chemistry , 27 :115078 , 2019 |
| Abstract : |
| PubMedSearch : Codony_2019_Bioorg.Med.Chem_27_115078 |
| PubMedID: 31488357 |
| Title : Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties - North_2013_Bioorg.Med.Chem_21_2587 |
| Author(s) : North EJ , Scherman MS , Bruhn DF , Scarborough JS , Maddox MM , Jones V , Grzegorzewicz A , Yang L , Hess T , Morisseau C , Jackson M , McNeil MR , Lee RE |
| Ref : Bioorganic & Medicinal Chemistry , 21 :2587 , 2013 |
| Abstract : |
| PubMedSearch : North_2013_Bioorg.Med.Chem_21_2587 |
| PubMedID: 23498915 |