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Name | CHEMBL198105 |
---|---|
Molecular formula | C34H43Br2N7O5 |
IUPAC name | (2S)-N-[(2R)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-3-(3,5-dibromo-4-hydroxyphenyl)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanamide |
Molecular weight | 789.57 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 5 |
XlogP | 3.9 |
Synonyms | (S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-carbonyl)-pentyl]-3-(3,5-dibromo-4-hydroxy-phenyl)-2-{3-[2-(2-methoxy-phenyl)-ethyl]-ureido}-propionamide BDBM50173476 |
Inchi Key | BXOQPDIPQMXQDO-WDYNHAJCSA-N |
Inchi ID | InChI=1S/C34H43Br2N7O5/c1-48-30-8-3-2-6-24(30)9-15-39-34(47)41-29(22-23-20-26(35)31(44)27(36)21-23)32(45)40-28(7-4-5-12-37)33(46)43-18-16-42(17-19-43)25-10-13-38-14-11-25/h2-3,6,8,10-11,13-14,20-21,28-29,44H,4-5,7,9,12,15-19,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t28-,29+/m1/s1 |
PubChem CID | 44403854 |
ChEMBL | CHEMBL198105 |
IUPHAR | N/A |
BindingDB | 50173476 |
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 |
---|---|---|---|---|---|
35290 | Calcitonin gene-related peptide type 1 receptor | Q16602 | CALCRL | Homo sapiens (Human) | 461 |
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