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Name | CHEMBL1940528 |
---|---|
Molecular formula | C30H34BrClN4OS |
IUPAC name | [(1S,2S,4R)-4-[[1-(2-bromophenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-chloropyridin-2-yl)piperazin-1-yl]methanone |
Molecular weight | 614.043 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 6.0 |
Synonyms | BDBM50362428 |
Inchi Key | PVLWNYFCJZEJFC-DSNGMDLFSA-N |
Inchi ID | InChI=1S/C30H34BrClN4OS/c31-27-5-2-1-4-26(27)30(11-3-12-30)34-23-7-8-24(25(18-23)21-10-17-38-20-21)29(37)36-15-13-35(14-16-36)28-9-6-22(32)19-33-28/h1-2,4-6,9-10,17,19-20,23-25,34H,3,7-8,11-16,18H2/t23-,24+,25-/m1/s1 |
PubChem CID | 57403534 |
ChEMBL | CHEMBL1940528 |
IUPHAR | N/A |
BindingDB | 50362428 |
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 |
---|---|---|---|---|---|
269917 | Neuropeptides B/W receptor type 1 | P49681 | Npbwr1 | Mus musculus (Mouse) | 329 |
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