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Name | CHEMBL236659 |
---|---|
Molecular formula | C28H36N4O5S |
IUPAC name | N-[1-[[(2S)-1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide |
Molecular weight | 540.679 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 2.6 |
Synonyms | BDBM50003010 |
Inchi Key | BDKNKWVGMGUBOG-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C28H36N4O5S/c1-28(2,32-26(34)24-19-21-10-6-7-11-23(21)38-24)27(35)31-22(18-20-8-4-3-5-9-20)25(33)30-13-15-37-17-16-36-14-12-29/h3-11,19,22H,12-18,29H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-/m0/s1 |
PubChem CID | 44434175 |
ChEMBL | CHEMBL236659 |
IUPHAR | N/A |
BindingDB | 50003010 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
21021 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
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