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Name | CHEMBL303295 |
---|---|
Molecular formula | C43H62N12O7 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(4R)-2-methylheptan-4-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide |
Molecular weight | 859.046 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 10 |
XlogP | 2.1 |
Synonyms | BDBM50012307 2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[2-(3H-imidazol-4-yl)-1-(3-methyl-1-propyl-butylcarbamoyl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide |
Inchi Key | SNIFLSAJCDXIOR-COCLTQGLSA-N |
Inchi ID | InChI=1S/C43H62N12O7/c1-8-11-29(14-24(2)3)52-41(60)36(17-31-20-45-23-49-31)53-37(57)21-47-43(62)38(25(4)5)55-39(58)26(6)50-40(59)34(15-28-18-46-33-13-10-9-12-32(28)33)54-42(61)35(51-27(7)56)16-30-19-44-22-48-30/h9-10,12-13,18-20,22-26,29,34-36,38,46H,8,11,14-17,21H2,1-7H3,(H,44,48)(H,45,49)(H,47,62)(H,50,59)(H,51,56)(H,52,60)(H,53,57)(H,54,61)(H,55,58)/t26-,29+,34-,35-,36-,38-/m0/s1 |
PubChem CID | 44306268 |
ChEMBL | CHEMBL303295 |
IUPHAR | N/A |
BindingDB | 50012307 |
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 |
---|---|---|---|---|---|
318584 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218