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Name | CHEMBL1083849 |
---|---|
Molecular formula | C36H48N4O3S |
IUPAC name | N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide |
Molecular weight | 616.865 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 6.1 |
Synonyms | BDBM50415960 |
Inchi Key | IFLAJVCAIZJOPG-HKBQPEDESA-N |
Inchi ID | InChI=1S/C36H48N4O3S/c41-34(33-26-30-11-4-5-13-32(30)44-33)38-36(16-6-7-17-36)35(42)37-31(25-28-9-2-1-3-10-28)12-8-18-39-19-21-40(22-20-39)27-29-14-23-43-24-15-29/h1-5,9-11,13,26,29,31H,6-8,12,14-25,27H2,(H,37,42)(H,38,41)/t31-/m0/s1 |
PubChem CID | 46236387 |
ChEMBL | CHEMBL1083849 |
IUPHAR | N/A |
BindingDB | 50415960 |
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 |
---|---|---|---|---|---|
131971 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
131972 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
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