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Name | CHEMBL236194 |
---|---|
Molecular formula | C43H69N11O8 |
IUPAC name | N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide |
Molecular weight | 868.094 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 9 |
XlogP | 3.8 |
Synonyms | N/A |
Inchi Key | AJESXLFWTRQWBV-UMURWTGRSA-N |
Inchi ID | InChI=1S/C43H69N11O8/c1-10-26(8)35(37(44)56)52-39(58)30(19-23(3)4)50-38(57)29(13-12-18-47-43(45)46)49-34(55)22-48-42(61)36(27(9)11-2)53-40(59)31(20-24(5)6)51-41(60)32-21-33(62-54-32)28-16-14-25(7)15-17-28/h14-17,21,23-24,26-27,29-31,35-36H,10-13,18-20,22H2,1-9H3,(H2,44,56)(H,48,61)(H,49,55)(H,50,57)(H,51,60)(H,52,58)(H,53,59)(H4,45,46,47)/t26-,27-,29-,30-,31-,35-,36-/m0/s1 |
PubChem CID | 44433918 |
ChEMBL | CHEMBL236194 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
536110 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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