You can:
Name | CHEMBL403743 |
---|---|
Molecular formula | C31H42FN5O4S |
IUPAC name | 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-(oxane-4-carbonyl)piperidin-3-yl]urea |
Molecular weight | 599.766 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | BDBM50209973 SCHEMBL18844445 1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea |
Inchi Key | ABTYEFIQKNTICU-SCTDOJESSA-N |
Inchi ID | InChI=1S/C31H42FN5O4S/c1-20-28(21(2)38)42-31(33-20)35-30(40)34-27-19-37(29(39)24-10-14-41-15-11-24)13-9-25(27)18-36-12-3-4-23(17-36)16-22-5-7-26(32)8-6-22/h5-8,23-25,27H,3-4,9-19H2,1-2H3,(H2,33,34,35,40)/t23-,25-,27+/m0/s1 |
PubChem CID | 44445916 |
ChEMBL | CHEMBL403743 |
IUPHAR | N/A |
BindingDB | 50209973 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
1178 | C-C chemokine receptor type 3 | P51677 | CCR3 | Homo sapiens (Human) | 355 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417