MGL-Inhibitor-candidate1
General
Type : Trifluoro, Piperazine
Chemical_Nomenclature : 1,1,1,3,3,3-hexafluoropropan-2-yl 4-cyclohexylpiperazine-1-carboxylate
Canonical SMILES : C1CCC(CC1)N2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
InChI : InChI=1S\/C14H20F6N2O2\/c15-13(16,17)11(14(18,19)20)24-12(23)22-8-6-21(7-9-22)10-4-2-1-3-5-10\/h10-11H,1-9H2
InChIKey : NCSGUCBHMYBBMG-UHFFFAOYSA-N
Other name(s) :
MW : 362.31
Formula : C14H20F6N2O2
CAS_number :
PubChem : 144463095
UniChem : NCSGUCBHMYBBMG-UHFFFAOYSA-N
Target
Families : MGL-Inhibitor-candidate1 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Protein :
human-MGLL
References (1)
| Title : Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design - Hassen_2025_J.Cheminform_17_41 |
| Author(s) : Hassen AK , Sicho M , van Aalst YJ , Huizenga MCW , Reynolds DNR , Luukkonen S , Bernatavicius A , Clevert DA , Janssen APA , van Westen GJP , Preuss M |
| Ref : J Cheminform , 17 :41 , 2025 |
| Abstract : |
| PubMedSearch : Hassen_2025_J.Cheminform_17_41 |
| PubMedID: 40155970 |