mardepodect

Ligand id: 9617

Name: mardepodect

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 52.83
Molecular weight 392.16
XLogP 5.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
International Nonproprietary Names
INN number INN
10509 mardepodect
Synonyms
MP-10 | PF-02545920 | PF-2545920 | PF2545920 | pyrazole 9 [PMID: 19630403]
Comments
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.
Database Links
CAS Registry No. 898562-94-2 (source: WHO INN record)
GtoPdb PubChem SID 340590247
PubChem CID 11581936
RCSB PDB Ligand PF9
Search Google for chemical match using the InChIKey AZEXWHKOMMASPA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AZEXWHKOMMASPA
Search PubMed clinical trials mardepodect
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Search UniChem for chemical match using the InChIKey AZEXWHKOMMASPA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AZEXWHKOMMASPA
SynPHARM 84439 (in complex with phosphodiesterase 10A)