General Information of the Compound
Compound ID
CP0826549
Compound Name
4,5-dibromo-3-methyl-1-(piperazin-1-yl)-7,8-dihydro-6H-imidazo[4,5,1-ij]quinoline hydrochloride
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Synonyms
1609452-30-3
1609452-30-3 (HCl)
4H-Imidazo(4,5,1-ij)quinoline, 7,8-dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-, hydrochloride (1:1)
7,8-Dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-4himidazo(4,5,1-ij)quinoline hydrochloride
7,8-Dibromo-9-methyl-2-piperazin-1-yl-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline Hydrochloride
A17086
BS-16042
CHEMBL4578881
CS-0041061
EX-A2929-1
HY-111388A
SCHEMBL17106021
SDM3M518PJ
SE-120-34A
SEL-120
SEL120
SEL120(SEL120-34,SEL120-34A)
SEL120-34A (monohydrochloride)
SEL120-34A HCl
UNII-SDM3M518PJ
s8840
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Structure
Formula
C15H19Br2ClN4
Molecular Weight
450.606
Canonical SMILES
Cc1c(Br)c(Br)c2c3c1nc(N1CCNCC1)n3CCC2.Cl
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InChI
InChI=1S/C15H18Br2N4.ClH/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20;/h18H,2-8H2,1H3;1H
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InChIKey
GQXLWUCQESKBSC-UHFFFAOYSA-N
CAS
1609452-30-3
Physicochemical Property
logP
3.64732
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
33.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 73776232
ChEMBL ID
CHEMBL4578881
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: PT01975, Cyclin-dependent kinase 8
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 7400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4.4 nM
2 IC50 = 37.2 nM
Clinical Information about the Compound
Drug 1 ( SEL120 )
Drug Name SEL120
Company Ryvu Therapeutics
Indication
Acute myeloid leukaemia
Phase 1
Myelodysplastic syndrome
Phase 1
Target(s)
Cyclin-dependent kinase 8 (CDK8)
 Target Info 
Inhibitor
Cyclin-dependent kinase 19 (CDK19)
 Target Info 
Inhibitor