JNJ-65234637   Click here for help

GtoPdb Ligand ID: 12414

Synonyms: compound 58 [PMID: 36793435] | JNJ65234637 | OICR-12694 | OICR12694
PDB Ligand
Compound class: Synthetic organic
Comment: JNJ-65234637 is an orally bioavailable, small molecule protein-protein interaction inhibitor, that disrupts the association between the B cell lymphoma 6 (BCL6) oncogenic transcription factor and its transcriptional co-repressor proteins [1]. Binds to BCL6's N-terminal BTB domain which is a crucial site for interactions with a number of co-repressor proteins. Dysregulated BCL6 drives several forms of non-Hodgkin lymphoma, making it a tractable therapeutic drug target.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 147.17
Molecular weight 645.03
XLogP 1.24
No. Lipinski's rules broken 2
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Canonical SMILES C[C@H]1CN(C)CCN1C2=CC(=C(C(=N2)F)Cl)NC(=O)CN3C=C(C4=C(C(=C(C(=C4)C(=O)N)O)F)F)C5=C3N=C6CCCN6C5=O
Isomeric SMILES ClC=1C(=NC(=CC1NC(CN2C=C(C3=C2N=C4N(C3=O)CCC4)C=5C(=C(C(=C(C(=O)N)C5)O)F)F)=O)N6[C@H](CN(CC6)C)C)F
InChI InChI=1S/C29H28ClF3N8O4/c1-13-10-38(2)6-7-40(13)19-9-17(22(30)26(33)36-19)35-20(42)12-39-11-16(14-8-15(27(34)44)25(43)24(32)23(14)31)21-28(39)37-18-4-3-5-41(18)29(21)45/h8-9,11,13,43H,3-7,10,12H2,1-2H3,(H2,34,44)(H,35,36,42)/t13-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
compound 58 [PMID: 36793435] | JNJ65234637 | OICR-12694 | OICR12694
Database Links Click here for help
BindingDB Ligand 536422
GtoPdb PubChem SID 479821205
PubChem CID 156087292
Search Google for chemical match using the InChIKey LGAFZGSECXDYIR-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone LGAFZGSECXDYIR
UniChem Compound Search for chemical match using the InChIKey LGAFZGSECXDYIR-ZDUSSCGKSA-N
UniChem Connectivity Search for chemical match using the InChIKey LGAFZGSECXDYIR-ZDUSSCGKSA-N