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Name | CHEMBL509464 |
---|---|
Molecular formula | C38H39N5O5 |
IUPAC name | 3-[(3S)-4-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-3-(propan-2-ylcarbamoyl)piperazin-1-yl]naphthalene-1-carboxylic acid |
Molecular weight | 645.76 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 6.4 |
Synonyms | BDBM50245186 SCHEMBL2915467 3-((S)-4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-3-(isopropylcarbamoyl)piperazin-1-yl)-1-naphthoic acid |
Inchi Key | XEPDAVKYYAQBPR-UMSFTDKQSA-N |
Inchi ID | InChI=1S/C38H39N5O5/c1-5-48-30-11-8-10-28(20-30)43-22-33(40-35(43)26-15-13-25(4)14-16-26)37(45)42-18-17-41(23-34(42)36(44)39-24(2)3)29-19-27-9-6-7-12-31(27)32(21-29)38(46)47/h6-16,19-22,24,34H,5,17-18,23H2,1-4H3,(H,39,44)(H,46,47)/t34-/m0/s1 |
PubChem CID | 44562301 |
ChEMBL | CHEMBL509464 |
IUPHAR | N/A |
BindingDB | 50245186 |
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 |
---|---|---|---|---|---|
389846 | Cholecystokinin receptor type A | P32238 | CCKAR | Homo sapiens (Human) | 428 |
389847 | Cholecystokinin receptor type A | O08786 | Cckar | Mus musculus (Mouse) | 436 |
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