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Name | CHEMBL504065 |
---|---|
Molecular formula | C32H33F3N4O5S |
IUPAC name | benzyl N-[4-[(4-methylsulfanylbenzoyl)amino]-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]cyclohexyl]carbamate |
Molecular weight | 642.694 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 5.2 |
Synonyms | (+/-)-benzyl-4-(4-(methylthio)benzamido)-3-(2-(3-(trifluoromethyl)benzamido)acetamido)cyclohexylcarbamate BDBM50255172 (+/-)-benzyl4-(4-(methylthio)benzamido)-3-(2-(3-(trifluoromethyl)benzamido)acetamido) cyclohexylcarbamate |
Inchi Key | AHSMKZRUQWMISJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H33F3N4O5S/c1-45-25-13-10-21(11-14-25)30(42)39-26-15-12-24(37-31(43)44-19-20-6-3-2-4-7-20)17-27(26)38-28(40)18-36-29(41)22-8-5-9-23(16-22)32(33,34)35/h2-11,13-14,16,24,26-27H,12,15,17-19H2,1H3,(H,36,41)(H,37,43)(H,38,40)(H,39,42) |
PubChem CID | 44593554 |
ChEMBL | CHEMBL504065 |
IUPHAR | N/A |
BindingDB | 50255172 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5851 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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