General Information of the Compound
Compound ID
CP0240209
Compound Name
4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine
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Structure
Formula
C21H16N4O2
Molecular Weight
356.385
Canonical SMILES
Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1C
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InChI
InChI=1S/C21H16N4O2/c1-13-11-15(27-21-16-7-10-26-20(16)6-9-23-21)3-4-18(13)25-14(2)24-17-12-22-8-5-19(17)25/h3-12H,1-2H3
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InChIKey
VNGSAFKJOYCSHN-UHFFFAOYSA-N
Physicochemical Property
logP
4.97084
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
65.97
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 90134304
ChEMBL ID
CHEMBL4278861
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 416 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 244 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 153 nM