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Name | CHEMBL236510 |
---|---|
Molecular formula | C30H35N3O3 |
IUPAC name | 2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetic acid |
Molecular weight | 485.628 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.7 |
Synonyms | BDBM50224505 (E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-p-tolylacryloyl)piperidin-4-yl)acetic acid |
Inchi Key | AQZBOLMPADGBBR-ZHACJKMWSA-N |
Inchi ID | InChI=1S/C30H35N3O3/c1-21-6-8-22(9-7-21)10-11-28(34)32-16-14-24(15-17-32)29(30(35)36)33-18-12-23(13-19-33)26-20-31-27-5-3-2-4-25(26)27/h2-11,20,23-24,29,31H,12-19H2,1H3,(H,35,36)/b11-10+ |
PubChem CID | 23656261 |
ChEMBL | CHEMBL236510 |
IUPHAR | N/A |
BindingDB | 50224505 |
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 |
---|---|---|---|---|---|
12225 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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