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Name | UNII-G9BL4978MZ |
---|---|
Molecular formula | C27H25Cl2F6N3O3 |
IUPAC name | N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide |
Molecular weight | 624.405 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 6.2 |
Synonyms | BHCJHYIMNHXLOM-WVDRJWPYSA-N N-[(R,R)-(E)-(3,4-dichlorobenzyl)-3-(2-oxoazepan-3-yl)carbamoyl]allyl-N-methyl-3,5-bis(trifluoromethyl)benzamide 3-[4-(3,4-dichlorophenyl)-3-[3,5-di(trifluoromethyl)phenyl(methyl)carboxamido]-(E,3R)-1-butenylcarboxamido]-2-oxo-(3R)-azepane DNK-333 BDBM50106892 [ Show all ] |
Inchi Key | BHCJHYIMNHXLOM-WVDRJWPYSA-N |
Inchi ID | InChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1 |
PubChem CID | 9939040 |
ChEMBL | CHEMBL105060 |
IUPHAR | N/A |
BindingDB | 50106892 |
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 |
---|---|---|---|---|---|
23621 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
23622 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
23620 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
23623 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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