GNE-235   Click here for help

GtoPdb Ligand ID: 13104

Synonyms: compound 23 [PMID: 37702400] | GNE235
Compound class: Synthetic organic
Comment: GNE-235 targets the second acetyl-lysine binding bromodomain of polybromo 1 (PBRM1) [1]. It is suitable for cellular investigations of the function of this protein/domain in chromatin remodeling.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 63.21
Molecular weight 244.29
XLogP 2.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C[C@H]1CCCN1C2=CC(=NN=C2N)C3=CC=CO3
Isomeric SMILES NC1=C(N2[C@@H](C)CCC2)C=C(C3=CC=CO3)N=N1
InChI InChI=1S/C13H16N4O/c1-9-4-2-6-17(9)11-8-10(15-16-13(11)14)12-5-3-7-18-12/h3,5,7-9H,2,4,6H2,1H3,(H2,14,16)/t9-/m0/s1
InChI Key HDGYSKKTWNREMX-VIFPVBQESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(furan-2-yl)-4-[(2S)-2-methylpyrrolidin-1-yl]pyridazin-3-amine
Synonyms Click here for help
compound 23 [PMID: 37702400] | GNE235
Database Links Click here for help
GtoPdb PubChem SID 491299886
PubChem CID 169448380
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UniChem Connectivity Search for chemical match using the InChIKey HDGYSKKTWNREMX-VIFPVBQESA-N