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Name | CHEMBL3144209 |
---|---|
Molecular formula | C47H57N7O6 |
IUPAC name | (2S)-2-[[(2R)-3-[1-(7-aminoheptanoyl)indol-3-yl]-2-[[2-[(4S,7S)-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl]acetyl]amino]propanoyl]amino]-N-benzyl-N-methyl-3-phenylpropanamide |
Molecular weight | 816.016 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 4.4 |
Synonyms | N/A |
Inchi Key | PRYCKXQCDGEFFJ-CZSMCTLESA-N |
Inchi ID | InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/t33?,35?,37-,38+,39+,43+/m1/s1 |
PubChem CID | 10350454 |
ChEMBL | CHEMBL3144209 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
267304 | Neuromedin-K receptor | P16177 | Tacr3 | Rattus norvegicus (Rat) | 452 |
267306 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
267307 | Substance-K receptor | P16610 | Tacr2 | Rattus norvegicus (Rat) | 390 |
267308 | Substance-K receptor | P79218 | TACR2 | Oryctolagus cuniculus (Rabbit) | 384 |
267303 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
267305 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
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