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.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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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
InChI Key PQOOIERVZAXHBP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-phenyl-2,5-bis[4-(pyrrolidin-1-yl)piperidine-1-carbonyl]aniline
Database Links Click here for help
CAS Registry No. 1415800-43-9
ChEMBL Ligand CHEMBL2426364
GtoPdb PubChem SID 249565912
PubChem CID 57339144
RCSB PDB Ligand UWN
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Tocris
UNC 1215
Cat. No. 4666