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Name | CHEMBL2112211 |
---|---|
Molecular formula | C30H27F6N3O3 |
IUPAC name | 3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-4-(4-methylphenyl)-N-[(3R)-2-oxoazepan-3-yl]benzamide |
Molecular weight | 591.554 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 6.2 |
Synonyms | BDBM50403919 |
Inchi Key | AGFUYWBBNWLCOK-XMMPIXPASA-N |
Inchi ID | InChI=1S/C30H27F6N3O3/c1-17-6-8-18(9-7-17)23-11-10-19(26(40)38-24-5-3-4-12-37-27(24)41)15-25(23)39(2)28(42)20-13-21(29(31,32)33)16-22(14-20)30(34,35)36/h6-11,13-16,24H,3-5,12H2,1-2H3,(H,37,41)(H,38,40)/t24-/m1/s1 |
PubChem CID | 71452678 |
ChEMBL | CHEMBL2112211 |
IUPHAR | N/A |
BindingDB | 50403919 |
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 |
---|---|---|---|---|---|
4837 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
4838 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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