General Information of the Compound
Compound ID
CP0013420
Compound Name
5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
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Synonyms
1009820-21-6
5-((3-Chlorophenyl)amino)benzo-[c][2,6]naphthyridine-8-carboxylic acid
5-((3-Chlorophenyl)amino)benzo[c][2,6]naphthyridine-8-carboxylic acid
5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
5-[(3-Chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-Carboxylic Acid
5-[(3-chlorophenyl)amino]-Benzo[c]-2,6-naphthyridine-8-carboxylic acid
AK-82006
C19H12ClN3O2
C6RWP0N0L2
CHEMBL1230165
CX 4945
CX-4945
CX-4945 (Silmitasertib)
CX4945
Silmitasertib
UNII-C6RWP0N0L2
W-204393
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Structure
Formula
C19H12ClN3O2
Molecular Weight
349.777
Canonical SMILES
OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
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InChI
InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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InChIKey
MUOKSQABCJCOPU-UHFFFAOYSA-N
CAS
1009820-21-6
Physicochemical Property
logP
4.8782
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
75.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 24748573
SID: 49650657
ChEMBL ID
CHEMBL1230165
DrugBank ID
DB15408
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: PT01210, Casein kinase II subunit alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 < 3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 96 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.5 nM
2 IC50 = 1 nM
3 IC50 = 14 nM
4 IC50 = 14.7 nM
5 IC50 = 19 nM
6 IC50 = 20 nM
7 IC50 = 100 nM
8 IC50 = 2000 nM
9 Ki = 0.38 nM
Protein ID: PT01246, Casein kinase II subunit alpha'
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 163 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 552 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1 nM
2 IC50 = 11 nM
Clinical Information about the Compound
Drug 1 ( CX-4945 )
Drug Name CX-4945
Company Cylene Pharmaceuticals
Indication
Coronavirus infection
Phase 2
Cholangiocarcinoma
Phase 1/2
Solid tumour/cancer
Phase 1
Target(s)
Casein kinase II alpha (CSNK2A1)
 Target Info 
Inhibitor
Drug 2 ( Silmitasertib )
Drug Name Silmitasertib
Indication
Cholangiocarcinoma
Phase 1/2
Coronavirus Disease 2019 (COVID-19)
Investigative