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Name | MLS003777871 |
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Molecular formula | C25H34ClN3O3 |
IUPAC name | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(cyclopropanecarbonylamino)acetyl]pyrrolidine-2-carboxamide |
Molecular weight | 460.015 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(cyclopropylcarbonylamino)ethanoyl]pyrrolidine-2-carboxamide SMR002440851 BDBM96861 cid_53361865 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-[[cyclopropyl(oxo)methyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxamide [ Show all ] |
Inchi Key | BEAIZLANBHGTQC-VXKWHMMOSA-N |
Inchi ID | InChI=1S/C25H34ClN3O3/c26-20-10-5-4-7-17(20)14-15-27-24(31)21-11-6-16-29(21)25(32)22(18-8-2-1-3-9-18)28-23(30)19-12-13-19/h4-5,7,10,18-19,21-22H,1-3,6,8-9,11-16H2,(H,27,31)(H,28,30)/t21-,22-/m0/s1 |
PubChem CID | 53361865 |
ChEMBL | CHEMBL2355110 |
IUPHAR | N/A |
BindingDB | 96861 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
21390 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218