General Information of the Compound
Compound ID
CP0019298
Compound Name
2-(dimethylamino)-4,5,6,7-tetrabromo-1H-benzimidazole
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Synonyms
PMID28766366-Compound-Scheme16DMAT
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Structure
Formula
C9H7Br4N3
Molecular Weight
476.792
Canonical SMILES
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
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InChI
InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
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InChIKey
SLPJGDQJLTYWCI-UHFFFAOYSA-N
Physicochemical Property
logP
4.6789
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 5326976
SID: 16553439
ChEMBL ID
CHEMBL376505
DrugBank ID
DB04719
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: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 26121.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PMID28766366-Compound-Scheme16DMAT )
Drug Name PMID28766366-Compound-Scheme16DMAT
Company SELVITA S.A
Target(s)
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (DYRK2)
Inhibitor
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A)
Inhibitor