terguride   Click here for help

GtoPdb Ligand ID: 56

Synonyms: dironyl
Approved drug
terguride is an approved drug
Compound class: Synthetic organic
Comment: Terguride is an ergoline type serotonin receptor antagonist/dopamine receptor agonist.
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 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 51.37
Molecular weight 340.23
XLogP 2.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCN(C(=O)NC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)CC
Isomeric SMILES CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC
InChI InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
InChI Key JOAHPSVPXZTVEP-YXJHDRRASA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea
International Nonproprietary Names Click here for help
INN number INN
5437 terguride
Synonyms Click here for help
dironyl
Database Links Click here for help
Specialist databases
GPCRdb Ligand terguride
Other databases
CAS Registry No. 37686-84-3 (source: Scifinder)
ChEMBL Ligand CHEMBL73151
DrugCentral Ligand 2601
GtoPdb PubChem SID 135651246
PubChem CID 443951
Search Google for chemical match using the InChIKey JOAHPSVPXZTVEP-YXJHDRRASA-N
Search Google for chemicals with the same backbone JOAHPSVPXZTVEP
Search PubMed clinical trials terguride
Search PubMed titles terguride
Search PubMed titles/abstracts terguride
UniChem Compound Search for chemical match using the InChIKey JOAHPSVPXZTVEP-YXJHDRRASA-N
UniChem Connectivity Search for chemical match using the InChIKey JOAHPSVPXZTVEP-YXJHDRRASA-N
Wikipedia Terguride