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Name | CHEMBL2434978 |
---|---|
Molecular formula | C32H36N4O4S |
IUPAC name | 4-[5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]sulfanylbenzoic acid |
Molecular weight | 572.724 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.1 |
Synonyms | BDBM50441716 SCHEMBL5575492 |
Inchi Key | BZKHTWAGPLWPPO-LJAQVGFWSA-N |
Inchi ID | InChI=1S/C32H36N4O4S/c37-31(38)25-7-9-28(10-8-25)41-30-11-6-23(20-33-30)21-34-16-12-27(13-17-34)36-29(24-4-2-1-3-5-24)22-35(32(36)39)26-14-18-40-19-15-26/h1-11,20,26-27,29H,12-19,21-22H2,(H,37,38)/t29-/m0/s1 |
PubChem CID | 16041411 |
ChEMBL | CHEMBL2434978 |
IUPHAR | N/A |
BindingDB | 50441716 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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36526 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
36529 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
36528 | C-C chemokine receptor type 4 | P51679 | CCR4 | Homo sapiens (Human) | 360 |
36527 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
36531 | C-C chemokine receptor type 7 | P32248 | CCR7 | Homo sapiens (Human) | 378 |
36530 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
36525 | C-X-C chemokine receptor type 4 | P61073 | CXCR4 | Homo sapiens (Human) | 352 |
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