Eseramine
AlkaPlorer ID: AK020308
Synonym: '', 'Pyrrolo(2,3-b)indole-1(2H)-carboxamide, 3,3a,8,8a-tetrahydro-N,3a,8-trimethyl-5-(((methylamino)carbonyl)oxy)-, (3aS-cis)-', '(3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-(methylamino)carbonyloxy-pyrrolo2,3-bindole-1(2H)-carboxamide', 'Eseramine'
IUPAC Name: [(8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
Structure
SMILES: CN=C(O)OC1=CC=C2C(=C1)[C@]1(C)CCN(C(O)=NC)C1N2C
InChI: InChI=1S/C16H22N4O3/c1-16-7-8-20(14(21)17-2)13(16)19(4)12-6-5-10(9-11(12)16)23-15(22)18-3/h5-6,9,13H,7-8H2,1-4H3,(H,17,21)(H,18,22)/t13?,16-/m0/s1
InChIKey: PYEMNABYODPRPP-VYIIXAMBSA-N
Source
Properties Information
Molecule Weight: 318.377
TPSA？: 80.89
MolLogP？: 1.8923000000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 9300.0 | nM | 10.1021/jm00120a008 |
| Electrophorus electricus | Acetylcholinesterase | Relative potency | 0.7 | % | 10.1021/jm00120a008 |