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Name | CHEMBL302892 |
---|---|
Molecular formula | C37H38N4O4 |
IUPAC name | (4R)-N-[(2R)-1-[benzyl(methyl)amino]-3-(6-methylnaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide |
Molecular weight | 602.735 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 5.0 |
Synonyms | BDBM50030175 (R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-(6-methyl-naphthalen-2-yl)-ethyl]-amide |
Inchi Key | AGDACNVYIDABFF-INCBRJRSSA-N |
Inchi ID | InChI=1S/C37H38N4O4/c1-24-13-15-28-18-26(14-16-27(28)17-24)19-32(37(45)40(3)21-25-9-5-4-6-10-25)38-35(43)34-20-29(42)22-41(34)36(44)31-23-39(2)33-12-8-7-11-30(31)33/h4-18,23,29,32,34,42H,19-22H2,1-3H3,(H,38,43)/t29-,32-,34?/m1/s1 |
PubChem CID | 44306252 |
ChEMBL | CHEMBL302892 |
IUPHAR | N/A |
BindingDB | 50030175 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
4782 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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