(-)-phenethylcymserine
IC 50 microM hCE1 20.5 +/- 10.4; hCE2 5.6 +/- 2.7; hACHE 1.0 +/- 0.2; hBChE 0.51 +/- 0.06
General
Type : Derivative of physostigmine-eserine,Carbamate
Chemical_Nomenclature : [(8bS)-4,8b-dimethyl-3-(2-phenylethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate
Canonical SMILES : CC(C)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)N(C4C3(CCN4CCC5=CC=CC=C5)C)C
InChI : InChI=1S\/C30H35N3O2\/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22\/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)\/t28?,30-\/m0\/s1
InChIKey : WKDFOVDLOVYRAJ-TXDWVUBVSA-N
Other name(s) : Phenethylcymserine,CHEMBL1080386,BDBM50312803,(3aS,8aR)-3a,8-dimethyl-1-phenethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 4-isopropylphenylcarbamate,[(3aR,8bS)-4,8b-dimethyl-3-(2-phenylethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate,CHEMBL54577,BDBM50077263,(4-Isopropyl-phenyl)-carbamic acid (S)-3a,8-dimethyl-1-phenethyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-5-yl ester
MW : 469.6
Formula : C30H35N3O2
CAS_number :
UniChem : WKDFOVDLOVYRAJ-TXDWVUBVSA-N
IUPHAR :
Wikipedia :
-phenethylcymserine.gif)
Target
Families : (-)-phenethylcymserine ligand of proteins in family: Carb_B_Chordata || BCHE || ACHE
Stucture :
Protein : human-CES2 || human-ACHE || human-BCHE
References (7)
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| Author(s) : Li Q , Yang H , Chen Y , Sun H |
| Ref : Eur Journal of Medicinal Chemistry , 132 :294 , 2017 |
| Abstract : Li_2017_Eur.J.Med.Chem_132_294 |
| ESTHER : Li_2017_Eur.J.Med.Chem_132_294 |
| PubMedSearch : Li_2017_Eur.J.Med.Chem_132_294 |
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| Ref : Chemico-Biological Interactions , 203 :226 , 2013 |
| Abstract : Tsurkan_2013_Chem.Biol.Interact_203_226 |
| ESTHER : Tsurkan_2013_Chem.Biol.Interact_203_226 |
| PubMedSearch : Tsurkan_2013_Chem.Biol.Interact_203_226 |
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| Ref : Eur Journal of Medicinal Chemistry , 46 :2170 , 2011 |
| Abstract : Tasso_2011_Eur.J.Med.Chem_46_2170 |
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| PubMedSearch : Tasso_2011_Eur.J.Med.Chem_46_2170 |
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| Abstract : Yu_2010_Bioorg.Med.Chem_18_4687 |
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| ESTHER : Takahashi_2010_Bioorg.Med.Chem.Lett_20_1718 |
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