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Name | CHEMBL35857 |
---|---|
Molecular formula | C27H26ClF6N3O3 |
IUPAC name | N-[(E)-1-(4-chlorophenyl)-5-oxo-5-[(2-oxoazepan-3-yl)amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide |
Molecular weight | 589.963 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 5.6 |
Synonyms | BDBM50089567 L015396 N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-azepan-3-ylcarbamoyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamide |
Inchi Key | ATMHFQDWDFHUDF-MDZDMXLPSA-N |
Inchi ID | InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+ |
PubChem CID | 10077113 |
ChEMBL | CHEMBL35857 |
IUPHAR | N/A |
BindingDB | 50089567 |
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 |
---|---|---|---|---|---|
14112 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
14111 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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