General Information of the Compound
Compound ID
CP0103761
Compound Name
5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
    Show/Hide
Synonyms
2P206WS5B3
5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine
5-(3-bromophenyl)-7-[6-(morpholin-4-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine
ABT-702
ABT702
AC1L1CN5
AKOS030589605
Abt 702
BDBM50094703
BRD-K36021395-300-01-6
CHEBI:104129
CHEMBL66089
CTK5I8409
GTPL5131
LS-134028
MolPort-035-936-400
NCGC00092381-02
NCGC00092381-03
SCHEMBL1914142
SMP2_000264
UNII-2P206WS5B3
ZINC21288919
abt-702
    Show/Hide
Structure
Formula
C22H19BrN6O
Molecular Weight
463.339
Canonical SMILES
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
    Show/Hide
InChIKey
RQCXKDWOCUJWQZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9351
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
90.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 1973
SID: 14833946
ChEMBL ID
CHEMBL66089
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: PT01274, Adenosine kinase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 50 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.3 nM
2 IC50 = 1.7 nM
3 IC50 = 2 nM
Clinical Information about the Compound
Drug 1 ( ABT-702 )
Drug Name ABT-702
Company Abbott Laboratories
Indication
Pain
Terminated
Target(s)
Adenosine kinase (ADK)
 Target Info 
Inhibitor