General Information of the Compound
Compound ID
CP0115645
Compound Name
ASB-183
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Synonyms
GSK2110183
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Structure
Formula
C18H17Cl2FN4OS
Molecular Weight
427.332
Canonical SMILES
Cn1ncc(Cl)c1-c1cc(sc1Cl)C(=O)N[C@H](CN)Cc1cccc(F)c1
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InChI
InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1
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InChIKey
AFJRDFWMXUECEW-LBPRGKRZSA-N
CAS
1047644-62-1
Physicochemical Property
logP
3.8943
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
72.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 46843057
SID: 117701512
ChEMBL ID
CHEMBL2219422
DrugBank ID
DB11648
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: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.08 nM
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1.585 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( GSK2110183 )
Drug Name GSK2110183
Company GlaxoSmithKline
Indication
leukaemia
Phase 2
Solid tumour/cancer
Phase 2
Multiple myeloma
Phase 1
Target(s)
RAC-alpha serine/threonine-protein kinase (AKT1)
Modulator