General Information of the Compound
Compound ID
CP0356200
Compound Name
4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide
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Structure
Formula
C16H12N6O
Molecular Weight
304.313
Canonical SMILES
NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cn[nH]c2c1
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InChI
InChI=1S/C16H12N6O/c17-13-11-3-1-2-10(14(11)21-22-15(13)16(18)23)8-4-5-9-7-19-20-12(9)6-8/h1-7H,(H2,17,21)(H2,18,23)(H,19,20)
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InChIKey
OPQNPPRJLLADTG-UHFFFAOYSA-N
Physicochemical Property
logP
1.8542
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
123.57
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 71765585
ChEMBL ID
CHEMBL3586446
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: PT01308, Tyrosine-protein kinase BTK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000174 Raji Homo sapiens (Human)  2
1
EC50 = 92 nM
   TI
   LI
   LO
   TS
2
IC50 = 12000 nM
   TI
   LI
   LO
   TS