CVN424   Click here for help

GtoPdb Ligand ID: 11514

Synonyms: compound 6i [PMID: 33861086] | CVN-424
Compound class: Synthetic organic
Comment: CVN424 is a first-in-class, clinical stage, nondopaminergic inverse agonist of GPR6. It is orally bioavailable, and can penetrate the CNS [1,3]. In in vivo Parkinson's disease models, inhibiting GPR6 activity with CVN424 normalises both activity in basal ganglia circuitry and motor behaviour.
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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 6
Topological polar surface area 79.82
Molecular weight 473.22
XLogP 3.1
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc(c(c1)F)OC1CCN(CC1)c1nc2CCN(Cc2nc1N[C@H]1COCC1)C(=O)C
Isomeric SMILES Fc1ccc(c(c1)F)OC1CCN(CC1)c1nc2CCN(Cc2nc1N[C@H]1COCC1)C(=O)C
InChI InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 6i [PMID: 33861086] | CVN-424
Database Links Click here for help
Specialist databases
GPCRdb Ligand CVN424
Other databases
GtoPdb PubChem SID 441604886
PubChem CID 137359492
Search Google for chemical match using the InChIKey HSWVJQBEXRKOBZ-QGZVFWFLSA-N
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UniChem Compound Search for chemical match using the InChIKey HSWVJQBEXRKOBZ-QGZVFWFLSA-N
UniChem Connectivity Search for chemical match using the InChIKey HSWVJQBEXRKOBZ-QGZVFWFLSA-N