General Information of the Compound
Compound ID
CP0458614
Compound Name
1-[[5-chloro-2-(2-methylpropyl)pyrazolo[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
CC(C)Cc1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)n2n1
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InChI
InChI=1S/C17H19ClN4O2/c1-10(2)4-13-8-14-6-12(18)7-15(22(14)19-13)9-21-11(3)5-16(20-21)17(23)24/h5-8,10H,4,9H2,1-3H3,(H,23,24)
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InChIKey
ZLWLMTKSJPSWGD-UHFFFAOYSA-N
Physicochemical Property
logP
3.43762
Rotatable Bonds
5
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: 137654396
ChEMBL ID
CHEMBL4091562
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 = 1400 nM
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