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Name | CHEMBL3752235 |
---|---|
Molecular formula | C30H44N4O5 |
IUPAC name | N-[(2S)-1-[[(2S,3S)-1-[(2-butan-2-yloxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide |
Molecular weight | 540.705 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 6.3 |
Synonyms | BDBM50138043 |
Inchi Key | JXEROGFKOZXVRH-IIAACTKASA-N |
Inchi ID | InChI=1S/C30H44N4O5/c1-5-20(3)27(30(37)31-19-23-14-10-11-15-25(23)38-21(4)6-2)34-28(35)24(18-22-12-8-7-9-13-22)33-29(36)26-16-17-32-39-26/h10-11,14-17,20-22,24,27H,5-9,12-13,18-19H2,1-4H3,(H,31,37)(H,33,36)(H,34,35)/t20-,21?,24-,27-/m0/s1 |
PubChem CID | 71511553 |
ChEMBL | CHEMBL3752235 |
IUPHAR | N/A |
BindingDB | 50138043 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
526151 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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