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Name | CHEMBL104958 |
---|---|
Molecular formula | C28H34N4O6 |
IUPAC name | [(2R)-3-(4-benzoylpiperidin-1-yl)-2-[(3-methylphenyl)carbamoylamino]-3-oxopropyl] morpholine-4-carboxylate |
Molecular weight | 522.602 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 2.2 |
Synonyms | BDBM50286177 Morpholine-4-carboxylic acid (R)-3-(4-benzoyl-piperidin-1-yl)-3-oxo-2-(3-m-tolyl-ureido)-propyl ester |
Inchi Key | CLFXXEFAURLAMH-XMMPIXPASA-N |
Inchi ID | InChI=1S/C28H34N4O6/c1-20-6-5-9-23(18-20)29-27(35)30-24(19-38-28(36)32-14-16-37-17-15-32)26(34)31-12-10-22(11-13-31)25(33)21-7-3-2-4-8-21/h2-9,18,22,24H,10-17,19H2,1H3,(H2,29,30,35)/t24-/m1/s1 |
PubChem CID | 44334225 |
ChEMBL | CHEMBL104958 |
IUPHAR | N/A |
BindingDB | 50286177 |
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 |
---|---|---|---|---|---|
44699 | Cholecystokinin receptor type A | Q63931 | CCKAR | Cavia porcellus (Guinea pig) | 430 |
44698 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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