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.
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2D Structure
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Physico-chemical Properties
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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
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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
CAS Registry No. 37686-84-3 (source: Scifinder)
ChEMBL Ligand CHEMBL73151
DrugCentral Ligand 2601
GtoPdb PubChem SID 135651246
PubChem CID 443951
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Wikipedia Terguride