General Information of the Compound
Compound ID
CP0231638
Compound Name
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[[(3R)-oxolan-3-yl]amino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
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Synonyms
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[[(3R)-oxolan-3-yl]amino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
2254706-21-1
AKOS040759781
AT37427
BDBM50582450
CHEMBL4778540
CS-0163733
CVN-424
CVN424
Ethanone, 1-(2-(4-(2,4-difluorophenoxy)-1-piperidinyl)-7,8-dihydro-3-(((3R)-tetrahydro-3-furanyl)amino)pyrido(3,4-b)pyrazin-6(5H)-yl)-
GTPL11514
HY-134661A
MS-28775
SCHEMBL20584477
UNII-XO01711URG
XO01711URG
Z3664677849
compound 6i [PMID: 33861086]
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Structure
Formula
C24H29F2N5O3
Molecular Weight
473.524
Canonical SMILES
CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@@H]3CCOC3)nc2C1
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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
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InChIKey
HSWVJQBEXRKOBZ-QGZVFWFLSA-N
Physicochemical Property
logP
2.908
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
79.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
34

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 137359492
ChEMBL ID
CHEMBL4778540
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06269, G-protein coupled receptor 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 38000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000308 T-REx-CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 9.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CVN424 )
Drug Name CVN424
Company Cerevance Beta, Inc.
Indication
Parkinson disease
Phase 2
Target(s)
G-protein coupled receptor 6 (GPR6)
 Target Info 
Agonist