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Name | CHEMBL1089965 |
---|---|
Molecular formula | C29H35F3N4O3 |
IUPAC name | N-[2-[[(3R)-1-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
Molecular weight | 544.619 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.3 |
Synonyms | (R)-N-(2-(1-(2-(1-(4-methylbenzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide BDBM50315036 SCHEMBL13271618 |
Inchi Key | BDDMHAOYXLWHLH-RUZDIDTESA-N |
Inchi ID | InChI=1S/C29H35F3N4O3/c1-20-5-7-22(8-6-20)28(39)36-15-10-21(11-16-36)9-13-35-14-12-25(19-35)34-26(37)18-33-27(38)23-3-2-4-24(17-23)29(30,31)32/h2-8,17,21,25H,9-16,18-19H2,1H3,(H,33,38)(H,34,37)/t25-/m1/s1 |
PubChem CID | 46842232 |
ChEMBL | CHEMBL1089965 |
IUPHAR | N/A |
BindingDB | 50315036 |
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 |
---|---|---|---|---|---|
20818 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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