General Information of the Compound
Compound ID
CP0479673
Compound Name
1-[(2-butyl-5-chloropyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
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Structure
Formula
C17H19ClN4O2
Molecular Weight
346.818
Canonical SMILES
CCCCc1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)n2n1
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InChI
InChI=1S/C17H19ClN4O2/c1-3-4-5-13-9-14-7-12(18)8-15(22(14)19-13)10-21-11(2)6-16(20-21)17(23)24/h6-9H,3-5,10H2,1-2H3,(H,23,24)
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InChIKey
FXZLSWANEQHAPO-UHFFFAOYSA-N
Physicochemical Property
logP
3.58172
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
72.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 137634566
ChEMBL ID
CHEMBL4062041
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: PT05403, Prostaglandin E2 receptor EP1 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 1900 nM
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