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Name | CHEMBL156186 |
---|---|
Molecular formula | C36H41N5O6 |
IUPAC name | 2-acetamido-N-[(2R)-3-(1-acetylindol-2-yl)-1-[[1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxybutanamide |
Molecular weight | 639.753 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 3.0 |
Synonyms | BDBM50408385 |
Inchi Key | POEPROHXWZELFO-XNWJXSQGSA-N |
Inchi ID | InChI=1S/C36H41N5O6/c1-23(42)33(37-24(2)43)35(46)38-30(21-29-20-28-17-11-12-18-32(28)41(29)25(3)44)34(45)39-31(19-26-13-7-5-8-14-26)36(47)40(4)22-27-15-9-6-10-16-27/h5-18,20,23,30-31,33,42H,19,21-22H2,1-4H3,(H,37,43)(H,38,46)(H,39,45)/t23?,30-,31?,33?/m1/s1 |
PubChem CID | 44370530 |
ChEMBL | CHEMBL156186 |
IUPHAR | N/A |
BindingDB | 50408385 |
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 |
---|---|---|---|---|---|
264672 | Neuromedin-K receptor | P16177 | Tacr3 | Rattus norvegicus (Rat) | 452 |
264671 | Substance-K receptor | P16610 | Tacr2 | Rattus norvegicus (Rat) | 390 |
264670 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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