General Information of the Compound
Compound ID
CP0574231
Compound Name
4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
    Show/Hide
Structure
Formula
C18H18N6O
Molecular Weight
334.383
Canonical SMILES
Cc1nc2ccc(nc2n1CCc1ccco1)-c1cc(N)nc(N)c1
    Show/Hide
InChI
InChI=1S/C18H18N6O/c1-11-21-15-5-4-14(12-9-16(19)23-17(20)10-12)22-18(15)24(11)7-6-13-3-2-8-25-13/h2-5,8-10H,6-7H2,1H3,(H4,19,20,23)
    Show/Hide
InChIKey
ZWDRSWWQYGLOOM-UHFFFAOYSA-N
Physicochemical Property
logP
2.80182
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
108.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 135335815
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: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 226 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3 nM