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Name | CHEMBL394419 |
---|---|
Molecular formula | C35H38N4O4S |
IUPAC name | N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2,3-dihydroinden-1-yl]-1-benzothiophene-2-carboxamide |
Molecular weight | 610.773 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 5.2 |
Synonyms | BDBM50003001 |
Inchi Key | GXIZWYDJPVSHBX-ZMLFZXNESA-N |
Inchi ID | InChI=1S/C35H38N4O4S/c40-32(36-17-8-18-39-19-21-43-22-20-39)29(23-25-9-2-1-3-10-25)37-34(42)35(16-15-26-11-4-6-13-28(26)35)38-33(41)31-24-27-12-5-7-14-30(27)44-31/h1-7,9-14,24,29H,8,15-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1 |
PubChem CID | 44434197 |
ChEMBL | CHEMBL394419 |
IUPHAR | N/A |
BindingDB | 50003001 |
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 |
---|---|---|---|---|---|
107675 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
107676 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
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