General Information of the Compound
Compound ID
CP0025586
Compound Name
4-[3-[6-(2-methoxyethyl)pyridin-3-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]morpholine
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Structure
Formula
C19H23N5O2
Molecular Weight
353.426
Canonical SMILES
COCCc1ccc(cn1)-c1c(C)nc2c(ccnn12)N1CCOCC1
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InChI
InChI=1S/C19H23N5O2/c1-14-18(15-3-4-16(20-13-15)6-10-25-2)24-19(22-14)17(5-7-21-24)23-8-11-26-12-9-23/h3-5,7,13H,6,8-12H2,1-2H3
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InChIKey
BPLVDYJDAVYLRQ-UHFFFAOYSA-N
CAS
1298030-18-8
Physicochemical Property
logP
2.12522
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
64.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 51352628
SID: 121271484
ChEMBL ID
CHEMBL2180408
DrugBank ID
DB12657
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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 58 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki ~ 19 nM