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| Name | CHEMBL293726 |
|---|---|
| Molecular formula | C35H38N4O7 |
| IUPAC name | benzyl (2S)-2-[[(2R)-3-(1-formylindol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoyl]amino]-3-phenylpropanoate |
| Molecular weight | 626.71 |
| Hydrogen bond acceptor | 7 |
| Hydrogen bond donor | 3 |
| XlogP | 5.0 |
| Synonyms | BDBM50002555 benzyl 2-[2-(1-formyl-1H-3-indolyl)-1-neopentylcarboxamidomethylcarboxamido-(1R)-ethylcarboxamido]-3-phenyl-(2S)-propanoate N-Boc-Gly-1-Formyl-D-Trp-L-Phe-OBzl |
| Inchi Key | ALEZIIVECUFDMT-WDYNHAJCSA-N |
| Inchi ID | InChI=1S/C35H38N4O7/c1-35(2,3)46-34(44)36-20-31(41)37-28(19-26-21-39(23-40)30-17-11-10-16-27(26)30)32(42)38-29(18-24-12-6-4-7-13-24)33(43)45-22-25-14-8-5-9-15-25/h4-17,21,23,28-29H,18-20,22H2,1-3H3,(H,36,44)(H,37,41)(H,38,42)/t28-,29+/m1/s1 |
| PubChem CID | 15755299 |
| ChEMBL | CHEMBL293726 |
| IUPHAR | N/A |
| BindingDB | 50002555 |
| 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 |
|---|---|---|---|---|---|
| 8190 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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