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Name | CHEMBL171051 |
---|---|
Molecular formula | C29H34N4O5 |
IUPAC name | 2-[(2S,5S)-5-benzyl-1-[(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]hexanoyl]-3-oxopiperazin-2-yl]acetic acid |
Molecular weight | 518.614 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 3.3 |
Synonyms | BDBM50284152 {(2S,5S)-5-Benzyl-1-[(S)-2-(2-1H-indol-3-yl-acetylamino)-hexanoyl]-3-oxo-piperazin-2-yl}-acetic acid |
Inchi Key | YECRHLDUXBKSFB-TUSQITKMSA-N |
Inchi ID | InChI=1S/C29H34N4O5/c1-2-3-12-24(32-26(34)15-20-17-30-23-13-8-7-11-22(20)23)29(38)33-18-21(14-19-9-5-4-6-10-19)31-28(37)25(33)16-27(35)36/h4-11,13,17,21,24-25,30H,2-3,12,14-16,18H2,1H3,(H,31,37)(H,32,34)(H,35,36)/t21-,24-,25-/m0/s1 |
PubChem CID | 44382486 |
ChEMBL | CHEMBL171051 |
IUPHAR | N/A |
BindingDB | 50284152 |
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 |
---|---|---|---|---|---|
407928 | Cholecystokinin receptor type A | O08786 | Cckar | Mus musculus (Mouse) | 436 |
407927 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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