UNC1215   Click here for help

GtoPdb Ligand ID: 8232

PDB Ligand
Compound class: Synthetic organic
Comment: UNC1215 was delevoped in a collaboration between the SGC (Structural Genomics Consortium) and the Center for Integrative Chemical Biology and Drug Discovery (CICBDD) at The University of North Carolina. It is the first chemical probe for a Kme (methyl-lysine recognition domain)-binding protein. UNC1215 is reported to be a potent and selective modulator of the Kme reading function of L3MBTL3, a member of the malignant brain tumor (MBT) family of chromatin interacting transcriptional repressors [1]. Click here to link to the SGC's full list of epigenetics probes.
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 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 59.13
Molecular weight 529.34
XLogP 4.56
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C(c1ccc(c(c1)Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCC1)N1CCC(CC1)N1CCCC1
Isomeric SMILES O=C(c1ccc(c(c1)Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCC1)N1CCC(CC1)N1CCCC1
InChI InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2
Selectivity at other protein targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
L3MBTL histone methyl-lysine binding protein 3 Primary target of this compound Hs Agonist Agonist 6.9 pKd - 1
pKd 6.9 (Kd 1.2x10-7 M) [1]