General Information of the Compound
Compound ID
CP0021055
Compound Name
6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
    Show/Hide
Synonyms
2-(4-morpholinophenylamino)-6-(2,3-d]pyrimidin-7(8H)-one
305820-75-1
6-(2,6-Dichlorophenyl)-8-methyl-2-(4-morpholin-4-ylphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
6-(2,6-dichlorophenyl)-8-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
AC1NS580
BDBM4213
CCG-222287
CHEMBL106772
DTXSID00416167
FT-0673541
HMS3263E07
NCGC00261668-01
NSC-735422
NSC735422
PD 173952
PD-0173952
PD-173952
PD173952
PD173952, &gt
SCHEMBL3458816
TCMDC-137156
Tox21_500983
ZINC13812765
    Show/Hide
Structure
Formula
C24H21Cl2N5O2
Molecular Weight
482.371
Canonical SMILES
Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
    Show/Hide
InChI
InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29)
    Show/Hide
InChIKey
XZEJMVDCQZRHLN-UHFFFAOYSA-N
Physicochemical Property
logP
4.8825
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
72.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 5328733
SID: 14785711
ChEMBL ID
CHEMBL106772
DrugBank ID
DB17041
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: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 24 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 2.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 24 nM
2 IC50 = 55 nM
3 Ki = 2.3 nM
Clinical Information about the Compound
Drug 1 ( PD-0173952 )
Drug Name PD-0173952
Target(s)
Platelet-derived growth factor receptor alpha (PDGFRA)
 Target Info 
Inhibitor
Proto-oncogene c-Src (SRC)
 Target Info 
Inhibitor
LCK tyrosine protein kinase (LCK)
 Target Info 
Inhibitor
Platelet-derived growth factor receptor beta (PDGFRB)
 Target Info 
Inhibitor
Fibroblast growth factor receptor 1 (FGFR1)
 Target Info 
Inhibitor