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Name | CHEMBL375315 |
---|---|
Molecular formula | C26H29N3O5S |
IUPAC name | ethyl 4-[[4-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate |
Molecular weight | 495.594 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | BDBM50203866 SCHEMBL1338431 4-(4-o-tolylcarbamoyl-naphthalene-1-sulfonylamino)-piperidine-1-carboxylic acid ethyl ester |
Inchi Key | LITJWFBBLZHRQM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H29N3O5S/c1-3-34-26(31)29-16-14-19(15-17-29)28-35(32,33)24-13-12-22(20-9-5-6-10-21(20)24)25(30)27-23-11-7-4-8-18(23)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,30) |
PubChem CID | 10391077 |
ChEMBL | CHEMBL375315 |
IUPHAR | N/A |
BindingDB | 50203866 |
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 |
---|---|---|---|---|---|
188563 | C-C chemokine receptor type 8 | P51685 | CCR8 | Homo sapiens (Human) | 355 |
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