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.
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups PROTACs, molecular glues and other degraders
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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
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