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| Name | CHEMBL328512 |
|---|---|
| Molecular formula | C28H40N6O8S |
| IUPAC name | (3S)-4-amino-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid |
| Molecular weight | 620.722 |
| Hydrogen bond acceptor | 9 |
| Hydrogen bond donor | 7 |
| XlogP | 0.5 |
| Synonyms | BDBM50026288 3-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid |
| Inchi Key | QFYFCIBCLVNGDV-ZEWNOJEFSA-N |
| Inchi ID | InChI=1S/C28H40N6O8S/c1-15(31-27(41)42-28(2,3)4)24(38)34-21(12-16-14-30-18-9-7-6-8-17(16)18)26(40)32-19(10-11-43-5)25(39)33-20(23(29)37)13-22(35)36/h6-9,14-15,19-21,30H,10-13H2,1-5H3,(H2,29,37)(H,31,41)(H,32,40)(H,33,39)(H,34,38)(H,35,36)/t15-,19-,20-,21-/m0/s1 |
| PubChem CID | 44326907 |
| ChEMBL | CHEMBL328512 |
| IUPHAR | N/A |
| BindingDB | 50026288 |
| 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 |
|---|---|---|---|---|---|
| 277353 | Gastrin/cholecystokinin type B receptor | P30553 | Cckbr | Rattus norvegicus (Rat) | 452 |
| 277354 | Histamine H2 receptor | P25102 | Hrh2 | Rattus norvegicus (Rat) | 358 |
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