TC-E 5005   Click here for help

GtoPdb Ligand ID: 11625

Synonyms: compound 1 [PMID: 21988093]
PDB Ligand
Compound class: Synthetic organic
Comment: TC-E 5005 is a potent and selective inhibitor of phosphodiesterase 10A (PDE10A) [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 52.31
Molecular weight 270.15
XLogP 3.4
No. Lipinski's rules broken 0
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Canonical SMILES CCCc1nc(c2n1c1nc(OC)ccc1nc2C)C
Isomeric SMILES CCCc1nc(c2n1c1nc(OC)ccc1nc2C)C
InChI InChI=1S/C15H18N4O/c1-5-6-12-17-10(3)14-9(2)16-11-7-8-13(20-4)18-15(11)19(12)14/h7-8H,5-6H2,1-4H3
1. Hennenberg M, Schott M, Kan A, Keller P, Tamalunas A, Ciotkowska A, Rutz B, Wang Y, Strittmatter F, Herlemann A et al.. (2016)
Inhibition of Adrenergic and Non-Adrenergic Smooth Muscle Contraction in the Human Prostate by the Phosphodiesterase 10-Selective Inhibitor TC-E 5005.
Prostate, 76 (15): 1364-74. [PMID:27418235]
2. Höfgen N, Stange H, Schindler R, Lankau HJ, Grunwald C, Langen B, Egerland U, Tremmel P, Pangalos MN, Marquis KL et al.. (2010)
Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors.
J Med Chem, 53 (11): 4399-411. [PMID:20450197]
3. Malamas MS, Ni Y, Erdei J, Stange H, Schindler R, Lankau HJ, Grunwald C, Fan KY, Parris K, Langen B et al.. (2011)
Highly potent, selective, and orally active phosphodiesterase 10A inhibitors.
J Med Chem, 54 (21): 7621-38. [PMID:21988093]