Brief Information of the Compound and Protein
Compound Name
(+/-)-(1R*,3S*)-6-Amino-3-(4'-chloro-3-(1H-1,2,4-triazol-5-yl)-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)-2-fluoro-N,N-dimethylbenzamide
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PubChem ID
CID: 166034821
Canonical SMILES
CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@H](c4ncn[nH]4)C2)CN3)c1F
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Compound Formula C22H23ClFN7O
Compound Structure
Protein Name
Mitogen-activated protein kinase kinase kinase kinase 1
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
STE protein kinase group
>
STE protein kinase STE20 family
>
STE protein kinase KHS subfamily
Uniprot ID
Q92918
Gene Name
MAP4K1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000081 Jurkat E6.1 Homo sapiens (Human)  1
1
IC50 = 15000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 14 nM