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Name | CHEMBL225475 |
---|---|
Molecular formula | C45H56N8O5 |
IUPAC name | N-[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide |
Molecular weight | 788.994 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 4.3 |
Synonyms | N/A |
Inchi Key | KGHTWDQPGSOHJN-BPSUTHQGSA-N |
Inchi ID | InChI=1S/C45H56N8O5/c54-41-27-40(50-42(55)30-52-22-18-35(19-23-52)53-20-10-3-11-21-53)43(56)47-29-34(24-31-12-4-1-5-13-31)48-44(57)38(25-32-14-6-2-7-15-32)51-45(58)39(49-41)26-33-28-46-37-17-9-8-16-36(33)37/h1-2,4-9,12-17,28,34-35,38-40,46H,3,10-11,18-27,29-30H2,(H,47,56)(H,48,57)(H,49,54)(H,50,55)(H,51,58)/t34-,38+,39+,40-/m1/s1 |
PubChem CID | 10876489 |
ChEMBL | CHEMBL225475 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
168490 | Neuromedin-K receptor | P30098 | TACR3 | Cavia porcellus (Guinea pig) | 440 |
168488 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
168491 | Substance-K receptor | P16610 | Tacr2 | Rattus norvegicus (Rat) | 390 |
168489 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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