Brief Information of the Compound and Protein
Compound Name
(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate; 2-hydroxybenzoic acid
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PubChem ID
CID: 5983
SID: 15222048
Canonical SMILES
CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
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Compound Formula C15H21N3O2
Compound Structure
Protein Name
Acetylcholinesterase
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
P22303
Gene Name
ACHE
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 160 nM
   TI
   LI
   LO
   TS
2
IC50 = 175 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.43 nM
2 IC50 = 2.9 nM
3 IC50 = 13.49 nM
4 IC50 = 14.1 nM
5 IC50 = 16 nM
6 IC50 = 18.97 nM
7 IC50 = 27.9 nM
8 IC50 = 28 nM
9 IC50 = 30 nM
10 IC50 = 32 nM
11 IC50 = 40 nM
12 IC50 = 43 nM
13 IC50 = 47.212638 nM
14 IC50 = 56.7 nM
15 IC50 = 57 nM
16 IC50 = 57.02 nM
17 IC50 = 61 nM
18 IC50 = 63 nM
19 IC50 = 80 nM
20 IC50 = 128 nM
21 IC50 = 150 nM
22 IC50 = 190 nM
23 IC50 = 200 nM
24 IC50 = 220 nM
25 IC50 = 538 nM
26 IC50 = 14000 nM