MG-277   Click here for help

GtoPdb Ligand ID: 11724

Synonyms: MG277
Compound class: Synthetic organic
Comment: MG-277 is a molecular glue type protein degrader [1]. It is a structurally modified analogue of MD-222 which is a MDM2 PROTAC degrader. The cereblon-binding moiety MG-277 is required for its growth inhibitory effects on cancer cells. MG-277 achieves its potent anticancer activity by inducing degradation of the translation termination factor GSPT1 (a.k.a. eRF3a; GSPT1; P15170), and this is independent of MDM2.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 136.71
Molecular weight 773.25
XLogP 6.23
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2CCCCCNC(=O)[C@@H]1NC2([C@]3([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c3ccc(c1)Cl)CCCCC2
Isomeric SMILES C1CCC2(CC1)[C@@]1([C@H]([C@@H](N2)C(=O)NCCCCCc2c3CN(C(=O)c3ccc2)C2CCC(=O)NC2=O)c2c(c(ccc2)Cl)F)c2c(cc(cc2)Cl)NC1=O
InChI InChI=1S/C41H42Cl2FN5O5/c42-24-14-15-28-30(21-24)46-39(54)41(28)33(26-12-8-13-29(43)34(26)44)35(48-40(41)18-4-2-5-19-40)37(52)45-20-6-1-3-9-23-10-7-11-25-27(23)22-49(38(25)53)31-16-17-32(50)47-36(31)51/h7-8,10-15,21,31,33,35,48H,1-6,9,16-20,22H2,(H,45,52)(H,46,54)(H,47,50,51)/t31?,33-,35+,41+/m0/s1
InChI Key BANRYGZZIMCKNA-OYGJEQPESA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups PROTACs, molecular glues and other degraders
Synonyms Click here for help
MG277
Database Links Click here for help
BindingDB Ligand 50505628
ChEMBL Ligand CHEMBL4449512
GtoPdb PubChem SID 458923759
PubChem CID 139600332
Search Google for chemical match using the InChIKey BANRYGZZIMCKNA-OYGJEQPESA-N
Search Google for chemicals with the same backbone BANRYGZZIMCKNA
Search UniChem for chemical match using the InChIKey BANRYGZZIMCKNA-OYGJEQPESA-N
Search UniChem for chemicals with the same backbone BANRYGZZIMCKNA