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Name | CHEMBL1083866 |
---|---|
Molecular formula | C36H48N4O3S |
IUPAC name | 6-methyl-N-[1-[[(2S)-5-[4-(oxan-4-yl)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 | 6.3 |
Synonyms | BDBM50415946 |
Inchi Key | JXPNJRFLIWRZMU-PMERELPUSA-N |
Inchi ID | InChI=1S/C36H48N4O3S/c1-27-11-12-29-26-33(44-32(29)24-27)34(41)38-36(15-5-6-16-36)35(42)37-30(25-28-8-3-2-4-9-28)10-7-17-39-18-20-40(21-19-39)31-13-22-43-23-14-31/h2-4,8-9,11-12,24,26,30-31H,5-7,10,13-23,25H2,1H3,(H,37,42)(H,38,41)/t30-/m0/s1 |
PubChem CID | 46237038 |
ChEMBL | CHEMBL1083866 |
IUPHAR | N/A |
BindingDB | 50415946 |
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 |
---|---|---|---|---|---|
162569 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
162570 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
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