General Information of the Compound
Compound ID
CP0401841
Compound Name
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylindazole-6-carboxamide
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Structure
Formula
C14H13N5OS
Molecular Weight
299.359
Canonical SMILES
Cn1ncc2ccc(cc12)C(=O)Nc1nnc(s1)C1CC1
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InChI
InChI=1S/C14H13N5OS/c1-19-11-6-9(4-5-10(11)7-15-19)12(20)16-14-18-17-13(21-14)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,18,20)
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InChIKey
ASGBLYAYFRYYAE-UHFFFAOYSA-N
Physicochemical Property
logP
2.5545
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
72.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 127047602
ChEMBL ID
CHEMBL3798145
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: PT01367, Prostaglandin E2 receptor EP3 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1679 nM
   TI
   LI
   LO
   TS
CL000064 Chem-1 Rattus norvegicus (Rat)  1
1
Ki = 1066 nM
   TI
   LI
   LO
   TS