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Name | CHEMBL3679657 |
---|---|
Molecular formula | C29H33N3O5 |
IUPAC name | 3-[[(1R,2S)-2-[(4S)-4-hydroxy-4-(4-isocyanophenyl)-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]carbamoyl]benzoic acid |
Molecular weight | 503.599 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 3.9 |
Synonyms | US8536198, 100 BDBM102333 SCHEMBL13137506 |
Inchi Key | CGWCNYVJFKNNNM-IRYADYCUSA-N |
Inchi ID | InChI=1S/C29H33N3O5/c1-28(2)18-32(16-15-29(28,37)21-11-13-22(30-3)14-12-21)26(34)23-9-4-5-10-24(23)31-25(33)19-7-6-8-20(17-19)27(35)36/h6-8,11-14,17,23-24,37H,4-5,9-10,15-16,18H2,1-2H3,(H,31,33)(H,35,36)/t23-,24+,29-/m0/s1 |
PubChem CID | 59474993 |
ChEMBL | CHEMBL3679657 |
IUPHAR | N/A |
BindingDB | 102333 |
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 |
---|---|---|---|---|---|
41673 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
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