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Name | CHEMBL41068 |
---|---|
Molecular formula | C35H42Cl2F6N4O5 |
IUPAC name | ethyl 1-[2-[4-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperazin-1-yl]acetyl]piperidine-4-carboxylate |
Molecular weight | 783.634 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 0 |
XlogP | 7.0 |
Synonyms | BDBM50093123 1-[2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperazin-1-yl)-acetyl]-piperidine-4-carboxylic acid ethyl ester |
Inchi Key | ARGUIKFIPCGABR-HOGWAELTSA-N |
Inchi ID | InChI=1S/C35H42Cl2F6N4O5/c1-3-52-33(49)24-6-10-47(11-7-24)32(48)20-46-14-12-45(13-15-46)9-8-28(25-4-5-29(36)30(37)18-25)31(44-50-2)22-51-21-23-16-26(34(38,39)40)19-27(17-23)35(41,42)43/h4-5,16-19,24,28H,3,6-15,20-22H2,1-2H3/b44-31+ |
PubChem CID | 44314577 |
ChEMBL | CHEMBL41068 |
IUPHAR | N/A |
BindingDB | 50093123 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
12446 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
12445 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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