TTK21   Click here for help

GtoPdb Ligand ID: 12197

Synonyms: TTK-21
Compound class: Synthetic organic
Comment: TTK21 is a small molecule activator of CREB-binding protein (CREBBP) and p300 (EP300) histone acetyltransferases [2]. It reaches the brain when administered intraperitonealy as a glucose-based carbon nanosphere conjugate. TTK21 induces axon regeneration in in vivo models of spinal injury [3] and neurodegeneration [1-2,4].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 38.33
Molecular weight 357.07
XLogP 5.24
No. Lipinski's rules broken 1
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Canonical SMILES CCCOc1ccccc1C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
Isomeric SMILES CCCOc1ccccc1C(=O)Nc1cc(c(cc1)Cl)C(F)(F)F
InChI InChI=1S/C17H15ClF3NO2/c1-2-9-24-15-6-4-3-5-12(15)16(23)22-11-7-8-14(18)13(10-11)17(19,20)21/h3-8,10H,2,9H2,1H3,(H,22,23)
Classification Click here for help
Compound class Synthetic organic
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CAS Registry No. 709676-56-2 (source: PubChem)
GtoPdb PubChem SID 472319318
PubChem CID 68453302
Search Google for chemical match using the InChIKey AQJBXYBDNZHZRE-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey AQJBXYBDNZHZRE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey AQJBXYBDNZHZRE-UHFFFAOYSA-N