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Name | CHEMBL507334 |
---|---|
Molecular formula | C36H47ClN4O4 |
IUPAC name | 1-[[(E)-3-(2-chlorophenyl)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 | 635.246 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 5.4 |
Synonyms | N/A |
Inchi Key | CUBUOUCVDQTAQY-JWJPGYJNSA-N |
Inchi ID | InChI=1S/C36H47ClN4O4/c37-31-11-5-4-10-30(31)12-13-33(42)40-36(18-6-7-19-36)35(44)39-32(24-27-8-2-1-3-9-27)34(43)38-25-28-14-20-41(21-15-28)26-29-16-22-45-23-17-29/h1-5,8-13,28-29,32H,6-7,14-26H2,(H,38,43)(H,39,44)(H,40,42)/b13-12+/t32-/m1/s1 |
PubChem CID | 44577900 |
ChEMBL | CHEMBL507334 |
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 |
---|---|---|---|---|---|
50623 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
50624 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
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