mardepodect   Click here for help

GtoPdb Ligand ID: 9617

Synonyms: MP-10 | PF-02545920 | PF-2545920 | PF2545920 | pyrazole 9 [PMID: 19630403]
PDB Ligand
Compound class: Synthetic organic
Comment: Mardepodect (PF-2545920) is a selective, orally active inhibitor of phosphodiesterase (PDE) 10A [3]. Identified using structure-based drug design, the compound is optimised for selectivity, brain penetration and drug-like properties. PF-2545920 is the first PDE10A inhibitor identified as a clinical lead utilizing this mechanism for the treatment of schizophrenia.
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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 5
Topological polar surface area 52.83
Molecular weight 392.16
XLogP 4.88
No. Lipinski's rules broken 0
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Canonical SMILES Cn1nc(c(c1)c1ccncc1)c1ccc(cc1)OCc1ccc2c(n1)cccc2
Isomeric SMILES Cn1nc(c(c1)c1ccncc1)c1ccc(cc1)OCc1ccc2c(n1)cccc2
InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10509 mardepodect
Synonyms Click here for help
MP-10 | PF-02545920 | PF-2545920 | PF2545920 | pyrazole 9 [PMID: 19630403]
Database Links Click here for help
CAS Registry No. 898562-94-2 (source: WHO INN record)
GtoPdb PubChem SID 340590247
PubChem CID 11581936
Search Google for chemical match using the InChIKey AZEXWHKOMMASPA-UHFFFAOYSA-N
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SynPHARM 84439 (in complex with phosphodiesterase 10A)
UniChem Compound Search for chemical match using the InChIKey AZEXWHKOMMASPA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey AZEXWHKOMMASPA-UHFFFAOYSA-N