General Information of the Compound
Compound ID
CP0429077
Compound Name
N-(5,6-dichloropyridin-3-yl)-1H-indazole-5-carboxamide
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Synonyms
PMID25399762-Compound-Table1-C2
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Structure
Formula
C13H8Cl2N4O
Molecular Weight
307.14
Canonical SMILES
Clc1cc(NC(=O)c2ccc3[nH]ncc3c2)cnc1Cl
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InChI
InChI=1S/C13H8Cl2N4O/c14-10-4-9(6-16-12(10)15)18-13(20)7-1-2-11-8(3-7)5-17-19-11/h1-6H,(H,17,19)(H,18,20)
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InChIKey
JLABGNSHSHVIHC-UHFFFAOYSA-N
Physicochemical Property
logP
3.517
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 77844666
ChEMBL ID
CHEMBL3319254
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  2
1
IC50 = 5.37 nM
   TI
   LI
   LO
   TS
2
Ki = 2.39 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PMID25399762-Compound-Table1-C2 )
Drug Name PMID25399762-Compound-Table1-C2
Company NTZ LAB LTD [BG]
Target(s)
Monoamine oxidase type B (MAO-B)
Inhibitor