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Name | CHEMBL2398765 |
---|---|
Molecular formula | C32H37ClN4O4 |
IUPAC name | 3-[2-(carbamoylamino)phenyl]-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide |
Molecular weight | 577.122 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 4 |
XlogP | 4.9 |
Synonyms | BDBM50436264 SCHEMBL2158982 |
Inchi Key | BMFZCZDBDSWUET-ZUKKLESISA-N |
Inchi ID | InChI=1S/C32H37ClN4O4/c1-20(2)27(29(39)37-17-16-32(41,31(3,4)19-37)23-12-14-24(33)15-13-23)36-28(38)22-9-7-8-21(18-22)25-10-5-6-11-26(25)35-30(34)40/h5-15,18,20,27,41H,16-17,19H2,1-4H3,(H,36,38)(H3,34,35,40)/t27-,32+/m1/s1 |
PubChem CID | 57889023 |
ChEMBL | CHEMBL2398765 |
IUPHAR | N/A |
BindingDB | 50436264 |
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 |
---|---|---|---|---|---|
27441 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
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