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Name | CHEMBL3727497 |
---|---|
Molecular formula | C28H27ClFN7O4S |
IUPAC name | N-[7-(2-chloro-5-methylanilino)-6-[6-(4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylpropanamide |
Molecular weight | 612.077 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | ITBLEDBSNPAWQC-UHFFFAOYSA-N N-{7-(2-chloro-5-methylphenylamino)-6-[6-(4-fluorophenyl)-2,6-diazaspiro[3,3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl}propionamide SCHEMBL14471692 |
Inchi Key | ITBLEDBSNPAWQC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H27ClFN7O4S/c1-3-24(38)34-42(40,41)23-12-32-37-25(33-22-10-17(2)4-9-21(22)29)20(11-31-26(23)37)27(39)36-15-28(16-36)13-35(14-28)19-7-5-18(30)6-8-19/h4-12,33H,3,13-16H2,1-2H3,(H,34,38) |
PubChem CID | 53377927 |
ChEMBL | CHEMBL3727497 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
525605 | C-C chemokine receptor type 10 | P46092 | CCR10 | Homo sapiens (Human) | 362 |
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