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Name | CHEMBL33650 |
---|---|
Molecular formula | C23H29N3O4 |
IUPAC name | tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate |
Molecular weight | 411.502 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.5 |
Synonyms | [(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester BDBM50050675 CTK1B8106 AC1OEH7D SCHEMBL11050511 [ Show all ] |
Inchi Key | LRRMIZSGLAPKAB-OALUTQOASA-N |
Inchi ID | InChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)26-19(15-17-12-8-5-9-13-17)21(28)25-18(20(24)27)14-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H2,24,27)(H,25,28)(H,26,29)/t18-,19-/m0/s1 |
PubChem CID | 7033529 |
ChEMBL | CHEMBL33650 |
IUPHAR | N/A |
BindingDB | 50050675 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
194772 | Neuromedin-K receptor | P29371 | TACR3 | Homo sapiens (Human) | 465 |
194773 | Neuromedin-K receptor | P30098 | TACR3 | Cavia porcellus (Guinea pig) | 440 |
194771 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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