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Name | CHEMBL390706 |
---|---|
Molecular formula | C25H26Cl2N4O4 |
IUPAC name | 3-[5-chloro-2-[2-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]anilino]-4-(methylamino)cyclobut-3-ene-1,2-dione |
Molecular weight | 517.407 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | BDBM50210991 (R)-3-(2-(2-(4-(4-chlorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione |
Inchi Key | BNARYZLHRCJGBY-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C25H26Cl2N4O4/c1-15-12-30(13-16-3-5-17(26)6-4-16)9-10-31(15)21(32)14-35-20-8-7-18(27)11-19(20)29-23-22(28-2)24(33)25(23)34/h3-8,11,15,28-29H,9-10,12-14H2,1-2H3/t15-/m1/s1 |
PubChem CID | 44430715 |
ChEMBL | CHEMBL390706 |
IUPHAR | N/A |
BindingDB | 50210991 |
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 |
---|---|---|---|---|---|
27918 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
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