General Information of the Compound
Compound ID
CP0130451
Compound Name
Aminofurazanyl-azabenzimidazole 6n
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Synonyms
GSK 269962
GSK-269962
GSK-269962A
GSK269962
GSK269962A
aminofurazanyl-azabenzimidazole 6n
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Structure
Formula
C29H30N8O5
Molecular Weight
570.61
Canonical SMILES
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
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InChI
InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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InChIKey
YOVNFNXUCOWYSG-UHFFFAOYSA-N
Physicochemical Property
logP
3.839
Rotatable Bonds
10
Heavy Atom Count
42
Polar Areas
155.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
12
Complexity
42

"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: 16095342
SID: 24741762
ChEMBL ID
CHEMBL220241
DrugBank ID
DB17030
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: PT01184, Rho-associated protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 1.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.8 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( GSK269962A )
Drug Name GSK269962A
Indication
Inflammation
Clinical trial
Target(s)
Rho-associated protein kinase 2 (ROCK2)
Inhibitor
Rho-associated protein kinase 1 (ROCK1)
Inhibitor