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Name | CHEMBL120790 |
---|---|
Molecular formula | C31H31N3O3 |
IUPAC name | benzyl 3-[[(3-benzyl-2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]indole-1-carboxylate |
Molecular weight | 493.607 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 5.9 |
Synonyms | BDBM50289295 3-{[(3-Benzyl-2-aza-bicyclo[2.2.1]heptane-2-carbonyl)-amino]-methyl}-indole-1-carboxylic acid benzyl ester |
Inchi Key | HBORZUGNIHEQPK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H31N3O3/c35-30(34-26-16-15-24(18-26)29(34)17-22-9-3-1-4-10-22)32-19-25-20-33(28-14-8-7-13-27(25)28)31(36)37-21-23-11-5-2-6-12-23/h1-14,20,24,26,29H,15-19,21H2,(H,32,35) |
PubChem CID | 44346117 |
ChEMBL | CHEMBL120790 |
IUPHAR | N/A |
BindingDB | 50289295 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
110734 | Neuromedin-K receptor | P29371 | TACR3 | Homo sapiens (Human) | 465 |
110733 | Substance-K receptor | P51144 | TACR2 | Mesocricetus auratus (Golden hamster) | 384 |
110732 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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