General Information of the Compound
Compound ID
CP0160448
Compound Name
4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide
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Structure
Formula
C18H16N6O2S
Molecular Weight
380.433
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(NCc3ccncc3)nc12
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InChI
InChI=1S/C18H16N6O2S/c19-27(25,26)15-3-1-14(2-4-15)16-12-22-24-10-7-17(23-18(16)24)21-11-13-5-8-20-9-6-13/h1-10,12H,11H2,(H,21,23)(H2,19,25,26)
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InChIKey
CUGSFKUBVGCXLB-UHFFFAOYSA-N
Physicochemical Property
logP
2.0508
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
115.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 155548639
ChEMBL ID
CHEMBL4536438
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: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 360 nM