amesergide   Click here for help

GtoPdb Ligand ID: 199

Synonyms: LY-237733 | LY237733
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.27
Molecular weight 393.28
XLogP 4.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(C1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1
Isomeric SMILES O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1
InChI InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)/t18-,21-,23-/m1/s1
InChI Key KEMOOQHMCGCZKH-JMUQELJHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
International Nonproprietary Names Click here for help
INN number INN
6937 amesergide
Synonyms Click here for help
LY-237733 | LY237733
Database Links Click here for help
CAS Registry No. 121588-75-8 (source: Scifinder)
ChEMBL Ligand CHEMBL160293
GtoPdb PubChem SID 135649933
PubChem CID 9821951
Search Google for chemical match using the InChIKey KEMOOQHMCGCZKH-JMUQELJHSA-N
Search Google for chemicals with the same backbone KEMOOQHMCGCZKH
Search PubMed clinical trials amesergide
Search PubMed titles amesergide
Search PubMed titles/abstracts amesergide
Search UniChem for chemical match using the InChIKey KEMOOQHMCGCZKH-JMUQELJHSA-N
Search UniChem for chemicals with the same backbone KEMOOQHMCGCZKH