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Name | CHEMBL1269139 |
---|---|
Molecular formula | C32H46N6O5 |
IUPAC name | N-[(2S)-1-[[(2S,3S)-1-[3-[4-(aminomethyl)piperidine-1-carbonyl]anilino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide |
Molecular weight | 594.757 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 4.3 |
Synonyms | BDBM50329494 5-isoxazoyl-Cha-Ile-(3-aminophenyl)-(4-[aminomethyl]piperidin-1-yl)methanone |
Inchi Key | JNVWQTNIDLAFGO-PTJQVGQKSA-N |
Inchi ID | InChI=1S/C32H46N6O5/c1-3-21(2)28(31(41)35-25-11-7-10-24(19-25)32(42)38-16-13-23(20-33)14-17-38)37-29(39)26(18-22-8-5-4-6-9-22)36-30(40)27-12-15-34-43-27/h7,10-12,15,19,21-23,26,28H,3-6,8-9,13-14,16-18,20,33H2,1-2H3,(H,35,41)(H,36,40)(H,37,39)/t21-,26-,28-/m0/s1 |
PubChem CID | 49788440 |
ChEMBL | CHEMBL1269139 |
IUPHAR | N/A |
BindingDB | 50329494 |
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 |
---|---|---|---|---|---|
155490 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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