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Name | CHEMBL198925 |
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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-(3-methoxyphenyl)ethylcarbamoylamino]propanamide |
Molecular weight | 789.57 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 5 |
XlogP | 3.9 |
Synonyms | BDBM50173477 (S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-carbonyl)-pentyl]-3-(3,5-dibromo-4-hydroxy-phenyl)-2-{3-[2-(3-methoxy-phenyl)-ethyl]-ureido}-propionamide |
Inchi Key | QRTDBPVYMKZTKN-IHLOFXLRSA-N |
Inchi ID | InChI=1S/C34H43Br2N7O5/c1-48-26-6-4-5-23(19-26)8-14-39-34(47)41-30(22-24-20-27(35)31(44)28(36)21-24)32(45)40-29(7-2-3-11-37)33(46)43-17-15-42(16-18-43)25-9-12-38-13-10-25/h4-6,9-10,12-13,19-21,29-30,44H,2-3,7-8,11,14-18,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t29-,30+/m1/s1 |
PubChem CID | 44403855 |
ChEMBL | CHEMBL198925 |
IUPHAR | N/A |
BindingDB | 50173477 |
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 |
---|---|---|---|---|---|
285329 | Calcitonin gene-related peptide type 1 receptor | Q63118 | Calcrl | Rattus norvegicus (Rat) | 464 |
285330 | Calcitonin gene-related peptide type 1 receptor | Q16602 | CALCRL | Homo sapiens (Human) | 461 |
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