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Name | CHEMBL1083858 |
---|---|
Molecular formula | C35H46N4O3S |
IUPAC name | 6-methyl-N-[1-[[(2R)-4-[4-(oxan-4-yl)piperazin-1-yl]-1-phenylbutan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide |
Molecular weight | 602.838 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 6.0 |
Synonyms | BDBM50415954 |
Inchi Key | DYMVIXFRKNHUJQ-LJAQVGFWSA-N |
Inchi ID | InChI=1S/C35H46N4O3S/c1-26-9-10-28-25-32(43-31(28)23-26)33(40)37-35(14-5-6-15-35)34(41)36-29(24-27-7-3-2-4-8-27)11-16-38-17-19-39(20-18-38)30-12-21-42-22-13-30/h2-4,7-10,23,25,29-30H,5-6,11-22,24H2,1H3,(H,36,41)(H,37,40)/t29-/m0/s1 |
PubChem CID | 46889641 |
ChEMBL | CHEMBL1083858 |
IUPHAR | N/A |
BindingDB | 50415954 |
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 |
---|---|---|---|---|---|
72111 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
72112 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
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