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Name | CHEMBL103312 |
---|---|
Molecular formula | C30H32N4O5 |
IUPAC name | [(2R)-3-(4-benzoylpiperidin-1-yl)-2-[(3-methylphenyl)carbamoylamino]-3-oxopropyl] N-phenylcarbamate |
Molecular weight | 528.609 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | BDBM50286158 Phenyl-carbamic acid (R)-3-(4-benzoyl-piperidin-1-yl)-3-oxo-2-(3-m-tolyl-ureido)-propyl ester |
Inchi Key | BYSPJTKARHNTCE-AREMUKBSSA-N |
Inchi ID | InChI=1S/C30H32N4O5/c1-21-9-8-14-25(19-21)31-29(37)33-26(20-39-30(38)32-24-12-6-3-7-13-24)28(36)34-17-15-23(16-18-34)27(35)22-10-4-2-5-11-22/h2-14,19,23,26H,15-18,20H2,1H3,(H,32,38)(H2,31,33,37)/t26-/m1/s1 |
PubChem CID | 44334248 |
ChEMBL | CHEMBL103312 |
IUPHAR | N/A |
BindingDB | 50286158 |
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 |
---|---|---|---|---|---|
36048 | Cholecystokinin receptor type A | Q63931 | CCKAR | Cavia porcellus (Guinea pig) | 430 |
36047 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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