General Information of the Compound
Compound ID
CP0148490
Compound Name
2-(7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-ylamino)nicotinamide hydrochloride
    Show/Hide
Structure
Formula
C20H18N6O3
Molecular Weight
390.403
Canonical SMILES
COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1
    Show/Hide
InChI
InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
    Show/Hide
InChIKey
JWQOJVOKBAAAAR-UHFFFAOYSA-N
Physicochemical Property
logP
2.651
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
116.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
29

"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: 10200390
SID: 15198490
ChEMBL ID
CHEMBL1190711
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: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
EC50 = 52 nM
   TI
   LI
   LO
   TS
CL000003 Ramos Homo sapiens (Human)  1
1
EC50 = 81 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7.5 nM