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Name | CHEMBL578189 |
---|---|
Molecular formula | C30H29F4N5O3S |
IUPAC name | N-[(1R)-1-[3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide |
Molecular weight | 615.648 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 0 |
XlogP | 5.0 |
Synonyms | BDBM50300902 (R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]pyrazin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(3-fluoro-4-(trifluoromethyl)phenyl)acetamide |
Inchi Key | BFGBZPORMXRQPQ-LJQANCHMSA-N |
Inchi ID | InChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/m1/s1 |
PubChem CID | 45486525 |
ChEMBL | CHEMBL578189 |
IUPHAR | N/A |
BindingDB | 50300902 |
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 |
---|---|---|---|---|---|
22280 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
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