You can:
Name | MLS003777870 |
---|---|
Molecular formula | C28H27Cl3N4O3 |
IUPAC name | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide |
Molecular weight | 573.899 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | BDBM96860 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-(3-pyridyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-1-oxo-3-(3-pyridinyl)propyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid CHEMBL2365716 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid [ Show all ] |
Inchi Key | BWEHDLNHAQMHPJ-DQEYMECFSA-N |
Inchi ID | InChI=1S/C28H27Cl3N4O3/c29-20-9-10-21(23(31)16-20)26(36)34-24(15-18-5-3-12-32-17-18)28(38)35-14-4-8-25(35)27(37)33-13-11-19-6-1-2-7-22(19)30/h1-3,5-7,9-10,12,16-17,24-25H,4,8,11,13-15H2,(H,33,37)(H,34,36)/t24-,25-/m0/s1 |
PubChem CID | 53361864 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 96860 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
34368 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218