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Name | CHEMBL1773877 |
---|---|
Molecular formula | C35H29FN4O5 |
IUPAC name | 3-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluoro-4-methylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]naphthalene-1-carboxylic acid |
Molecular weight | 604.638 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 5.8 |
Synonyms | BDBM50343722 3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2-fluoro-4-methylphenyl)pyrimidine-2-carbonyl)piperazin-1-yl)-1-naphthoic acid |
Inchi Key | MAZYNSFCRNJVOU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43) |
PubChem CID | 53233689 |
ChEMBL | CHEMBL1773877 |
IUPHAR | N/A |
BindingDB | 50343722 |
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 |
---|---|---|---|---|---|
201164 | Cannabinoid receptor 2 | P34972 | CNR2 | Homo sapiens (Human) | 360 |
201165 | Cholecystokinin receptor type A | P32238 | CCKAR | Homo sapiens (Human) | 428 |
201167 | Cholecystokinin receptor type A | O08786 | Cckar | Mus musculus (Mouse) | 436 |
201166 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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