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Name | CHEMBL296267 |
---|---|
Molecular formula | C41H44N6O6 |
IUPAC name | N-benzyl-2-[[2-[[2-(3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl)acetyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-N-methyl-3-phenylpropanamide |
Molecular weight | 716.839 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 3.8 |
Synonyms | L007768 BDBM50045040 N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-diaza-tricyclo[6.2.2.0*2,7*]dodec-4-yl)-acetylamino]-3-(1-formyl-1H-indol-3-yl)-propionylamino]-N-methyl-3-phenyl-propionamide |
Inchi Key | CSVWVGRJWUUHQN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51) |
PubChem CID | 23277709 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50045040 |
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 |
---|---|---|---|---|---|
49806 | Neuromedin-K receptor | P16177 | Tacr3 | Rattus norvegicus (Rat) | 452 |
49802 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
519911 | Substance-K receptor | P79218 | TACR2 | Oryctolagus cuniculus (Rabbit) | 384 |
558809 | Substance-K receptor | P16610 | Tacr2 | Rattus norvegicus (Rat) | 390 |
49801 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
49805 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
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