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Name | CHEMBL446604 |
---|---|
Molecular formula | C37H50N4O4 |
IUPAC name | 1-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]-N-[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide |
Molecular weight | 614.831 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 5.1 |
Synonyms | N/A |
Inchi Key | AHBIKCVHRSENAB-QXORNKNPSA-N |
Inchi ID | InChI=1S/C37H50N4O4/c1-28-9-5-6-12-32(28)13-14-34(42)40-37(19-7-8-20-37)36(44)39-33(25-29-10-3-2-4-11-29)35(43)38-26-30-15-21-41(22-16-30)27-31-17-23-45-24-18-31/h2-6,9-14,30-31,33H,7-8,15-27H2,1H3,(H,38,43)(H,39,44)(H,40,42)/b14-13+/t33-/m1/s1 |
PubChem CID | 44577905 |
ChEMBL | CHEMBL446604 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
5406 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
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