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Name | MLS001218739 |
---|---|
Molecular formula | C21H29N3O4 |
IUPAC name | ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate |
Molecular weight | 387.48 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 1.7 |
Synonyms | BAS 05435078 MLS-0445335.0001 4-[1-(2-Methyl-benzoyl)-piperidine-4-carbonyl]-piperazine-1-carboxylic acid ethyl ester CHEMBL1700182 SMR000612162 [ Show all ] |
Inchi Key | TWYGQKIOVPITPN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H29N3O4/c1-3-28-21(27)24-14-12-23(13-15-24)19(25)17-8-10-22(11-9-17)20(26)18-7-5-4-6-16(18)2/h4-7,17H,3,8-15H2,1-2H3 |
PubChem CID | 3152307 |
ChEMBL | CHEMBL1700182 |
IUPHAR | N/A |
BindingDB | 80050 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
329531 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
329529 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
329532 | C-X-C chemokine receptor type 5 | P32302 | CXCR5 | Homo sapiens (Human) | 372 |
329530 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
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