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Name | CHEMBL1269140 |
---|---|
Molecular formula | C31H50N6O5 |
IUPAC name | N-[(2S)-1-[[(2S,3S)-1-[2-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide |
Molecular weight | 586.778 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 3.9 |
Synonyms | 5-Isoxazoyl-Cha-Ile-(piperidin-2-yl)-(4-[aminomethyl]piperidin-1-yl)methanone BDBM50329495 |
Inchi Key | HCWCVFOWRLDSMC-DNRLNLDBSA-N |
Inchi ID | InChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-16-8-7-11-25(37)30(40)36-17-13-23(20-32)14-18-36)35-28(38)24(19-22-9-5-4-6-10-22)34-29(39)26-12-15-33-42-26/h12,15,21-25,27H,3-11,13-14,16-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,24-,25?,27-/m0/s1 |
PubChem CID | 49788441 |
ChEMBL | CHEMBL1269140 |
IUPHAR | N/A |
BindingDB | 50329495 |
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 |
---|---|---|---|---|---|
111676 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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