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Name | CHEMBL1940534 |
---|---|
Molecular formula | C29H34ClFN4OS |
IUPAC name | [4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[2-(4-fluorophenyl)propan-2-ylamino]-2-thiophen-3-ylcyclohexyl]methanone |
Molecular weight | 541.126 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.3 |
Synonyms | BDBM50362422 |
Inchi Key | PISSSQWQPKYCQO-UODIDJSMSA-N |
Inchi ID | InChI=1S/C29H34ClFN4OS/c1-29(2,21-3-6-23(31)7-4-21)33-24-8-9-25(26(17-24)20-11-16-37-19-20)28(36)35-14-12-34(13-15-35)27-10-5-22(30)18-32-27/h3-7,10-11,16,18-19,24-26,33H,8-9,12-15,17H2,1-2H3/t24-,25+,26-/m1/s1 |
PubChem CID | 57401832 |
ChEMBL | CHEMBL1940534 |
IUPHAR | N/A |
BindingDB | 50362422 |
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 |
---|---|---|---|---|---|
260754 | Neuropeptides B/W receptor type 1 | P49681 | Npbwr1 | Mus musculus (Mouse) | 329 |
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