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Name | CHEMBL394607 |
---|---|
Molecular formula | C36H45N5O5S |
IUPAC name | N-[1-[[(2R)-1-[[3-[4-(oxan-4-yl)piperazin-1-yl]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide |
Molecular weight | 659.846 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 3.9 |
Synonyms | N/A |
Inchi Key | ASOICHOYACLMGC-GDLZYMKVSA-N |
Inchi ID | InChI=1S/C36H45N5O5S/c42-32(41-20-18-40(19-21-41)28-13-22-46-23-14-28)12-17-37-33(43)29(24-26-8-2-1-3-9-26)38-35(45)36(15-6-7-16-36)39-34(44)31-25-27-10-4-5-11-30(27)47-31/h1-5,8-11,25,28-29H,6-7,12-24H2,(H,37,43)(H,38,45)(H,39,44)/t29-/m1/s1 |
PubChem CID | 23626569 |
ChEMBL | CHEMBL394607 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
13363 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
13364 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
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