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Name | CHEMBL394420 |
---|---|
Molecular formula | C35H38N4O3S |
IUPAC name | N-[2-[[(2R)-1-oxo-3-phenyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-1-benzothiophene-2-carboxamide |
Molecular weight | 594.774 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 6.0 |
Synonyms | BDBM50002936 |
Inchi Key | AVFCWIYMFNPMIP-GDLZYMKVSA-N |
Inchi ID | InChI=1S/C35H38N4O3S/c40-32(36-17-10-20-39-18-8-9-19-39)29(21-25-11-2-1-3-12-25)37-34(42)35(23-27-14-4-5-15-28(27)24-35)38-33(41)31-22-26-13-6-7-16-30(26)43-31/h1-7,11-16,22,29H,8-10,17-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1 |
PubChem CID | 44434203 |
ChEMBL | CHEMBL394420 |
IUPHAR | N/A |
BindingDB | 50002936 |
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 |
---|---|---|---|---|---|
15241 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
15242 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
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