General Information of the Compound
Compound ID
CP0569976
Compound Name
6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one
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Structure
Formula
C16H19N7O
Molecular Weight
325.376
Canonical SMILES
Cn1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1
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InChI
InChI=1S/C16H19N7O/c1-16(5-6-16)21-13-12-11(4-7-22(2)14(12)24)19-15(20-13)18-10-8-17-23(3)9-10/h4,7-9H,5-6H2,1-3H3,(H2,18,19,20,21)
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InChIKey
YBWPAUYJHMYTBP-UHFFFAOYSA-N
Physicochemical Property
logP
1.77
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
89.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
24

"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: 163409097
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: PT00821, Interleukin-1 receptor-associated kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000300 Karpas-299 Homo sapiens (Human)  1
1
IC50 = 190 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM