ARV-766   Click here for help

GtoPdb Ligand ID: 12624

Synonyms: ARV766
Compound class: Synthetic organic
Comment: ARV-766 is an androgen receptor (AR)-degrading PROTAC, that was designed to target the AR in metastatic castration-resistant prostate cancer (mCRPC). The chemical structure was disclosed during the 'First Disclosures of New Drug Candidates' session at the April 2023 (Orlando) meeting of the AACR.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 156.34
Molecular weight 807.95
XLogP 4.12
No. Lipinski's rules broken 3
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Canonical SMILES CC1(C)[C@@H](C(C)(C)[C@H]1OC2=CC=C(C#N)C(=C2)OC)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)CN5CCN(CC5)C6=CC=C(C(=C6)F)C(=O)N[C@H]7CCC(=O)NC7=O
Isomeric SMILES COC1=CC(O[C@H]2C(C)(C)[C@H](NC(=O)C3=CC=C(C=C3)N4CCC(CN5CCN(CC5)C6=CC=C(C(=O)N[C@H]7CCC(=O)NC7=O)C(F)=C6)CC4)C2(C)C)=CC=C1C#N
InChI InChI=1S/C45H54FN7O6/c1-44(2)42(45(3,4)43(44)59-33-12-8-30(26-47)37(25-33)58-5)50-39(55)29-6-9-31(10-7-29)52-18-16-28(17-19-52)27-51-20-22-53(23-21-51)32-11-13-34(35(46)24-32)40(56)48-36-14-15-38(54)49-41(36)57/h6-13,24-25,28,36,42-43H,14-23,27H2,1-5H3,(H,48,56)(H,50,55)(H,49,54,57)/t36-,42-,43-/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
GtoPdb PubChem SID 479821414
PubChem CID 156504141
Search Google for chemical match using the InChIKey RDPPBRKNBBXPNZ-FMPIRMQTSA-N
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UniChem Compound Search for chemical match using the InChIKey RDPPBRKNBBXPNZ-FMPIRMQTSA-N
UniChem Connectivity Search for chemical match using the InChIKey RDPPBRKNBBXPNZ-FMPIRMQTSA-N