taltirelin   Click here for help

GtoPdb Ligand ID: 2143

Synonyms: TA 0910
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 11
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 170.59
Molecular weight 405.18
XLogP -3.25
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CN1C(=O)CC(NC1=O)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1[nH]cnc1
Isomeric SMILES CN1C(=O)C[C@H](NC1=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1[nH]cnc1
InChI InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12-/m0/s1
InChI Key LQZAIAZUDWIVPM-SRVKXCTJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
International Nonproprietary Names Click here for help
INN number INN
7503 taltirelin
Synonyms Click here for help
TA 0910
Database Links Click here for help
CAS Registry No. 103300-74-9 (source: Scifinder)
ChEMBL Ligand CHEMBL2107016
GtoPdb PubChem SID 135651232
PubChem CID 114750
Search Google for chemical match using the InChIKey LQZAIAZUDWIVPM-SRVKXCTJSA-N
Search Google for chemicals with the same backbone LQZAIAZUDWIVPM
Search PubMed clinical trials taltirelin
Search PubMed titles taltirelin
Search PubMed titles/abstracts taltirelin
Search UniChem for chemical match using the InChIKey LQZAIAZUDWIVPM-SRVKXCTJSA-N
Search UniChem for chemicals with the same backbone LQZAIAZUDWIVPM
Wikipedia Taltirelin

Product suppliers

View disclaimer

Tocris
Taltirelin
Cat. No. 2672