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Name | CHEMBL1939559 |
---|---|
Molecular formula | C30H27ClF4N4O4S |
IUPAC name | N-[(1R)-1-[3-(4-chlorophenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-[(1,1-dioxothian-4-yl)methyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide |
Molecular weight | 651.074 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 0 |
XlogP | 5.0 |
Synonyms | BDBM50361988 |
Inchi Key | HVQPVIBEPUHUPH-GOSISDBHSA-N |
Inchi ID | InChI=1S/C30H27ClF4N4O4S/c1-18(28-37-27-23(3-2-12-36-27)29(41)39(28)22-7-5-21(31)6-8-22)38(17-19-10-13-44(42,43)14-11-19)26(40)16-20-4-9-25(32)24(15-20)30(33,34)35/h2-9,12,15,18-19H,10-11,13-14,16-17H2,1H3/t18-/m1/s1 |
PubChem CID | 56834986 |
ChEMBL | CHEMBL1939559 |
IUPHAR | N/A |
BindingDB | 50361988 |
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 |
---|---|---|---|---|---|
125191 | C-X-C chemokine receptor type 3 | O88410 | Cxcr3 | Mus musculus (Mouse) | 367 |
125192 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
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