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Name | CHEMBL1790763 |
---|---|
Molecular formula | C26H37N5O7 |
IUPAC name | (3S)-4-amino-3-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid |
Molecular weight | 531.61 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 1.5 |
Synonyms | BDBM50367238 |
Inchi Key | BRPNCKHBZGUTPH-KKTRPPJXSA-N |
Inchi ID | InChI=1S/C26H37N5O7/c1-6-14(2)21(24(36)29-18(22(27)34)12-20(32)33)31-23(35)19(30-25(37)38-26(3,4)5)11-15-13-28-17-10-8-7-9-16(15)17/h7-10,13-14,18-19,21,28H,6,11-12H2,1-5H3,(H2,27,34)(H,29,36)(H,30,37)(H,31,35)(H,32,33)/t14-,18-,19-,21-/m0/s1 |
PubChem CID | 56664854 |
ChEMBL | CHEMBL1790763 |
IUPHAR | N/A |
BindingDB | 50367238 |
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 |
---|---|---|---|---|---|
31224 | Gastrin/cholecystokinin type B receptor | P30553 | Cckbr | Rattus norvegicus (Rat) | 452 |
31225 | Histamine H2 receptor | P25102 | Hrh2 | Rattus norvegicus (Rat) | 358 |
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