You can:
Name | CHEMBL1270464 |
---|---|
Molecular formula | C26H26F6N4O |
IUPAC name | N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyrimidin-2-amine |
Molecular weight | 524.511 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 2 |
XlogP | 5.5 |
Synonyms | BDBM50328978 N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)pyrimidin-2-amine SCHEMBL12776435 |
Inchi Key | ANSDKCGTAPTVGF-OUPRXKBMSA-N |
Inchi ID | InChI=1S/C26H26F6N4O/c1-17(18-12-20(25(27,28)29)14-21(13-18)26(30,31)32)37-16-24(19-6-3-2-4-7-19)9-8-22(15-35-24)36-23-33-10-5-11-34-23/h2-7,10-14,17,22,35H,8-9,15-16H2,1H3,(H,33,34,36)/t17-,22+,24-/m1/s1 |
PubChem CID | 52945787 |
ChEMBL | CHEMBL1270464 |
IUPHAR | N/A |
BindingDB | 50328978 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
9820 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417