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Name | CHEMBL504406 |
---|---|
Molecular formula | C37H36FN5O5 |
IUPAC name | 3-[(3R)-3-(acetamidomethyl)-4-[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carbonyl]piperazin-1-yl]naphthalene-1-carboxylic acid |
Molecular weight | 649.723 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 5.7 |
Synonyms | BDBM50245189 SCHEMBL2921194 3-((R)-3-(acetamidomethyl)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)piperazin-1-yl)-1-naphthoic acid |
Inchi Key | VMKOQEOIJXMLBL-MUUNZHRXSA-N |
Inchi ID | InChI=1S/C37H36FN5O5/c1-4-48-29-10-7-9-26(18-29)43-22-34(40-35(43)31-13-12-23(2)16-33(31)38)36(45)42-15-14-41(21-28(42)20-39-24(3)44)27-17-25-8-5-6-11-30(25)32(19-27)37(46)47/h5-13,16-19,22,28H,4,14-15,20-21H2,1-3H3,(H,39,44)(H,46,47)/t28-/m1/s1 |
PubChem CID | 24769543 |
ChEMBL | CHEMBL504406 |
IUPHAR | N/A |
BindingDB | 50245189 |
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 |
---|---|---|---|---|---|
358660 | Cholecystokinin receptor type A | P32238 | CCKAR | Homo sapiens (Human) | 428 |
358661 | Cholecystokinin receptor type A | O08786 | Cckar | Mus musculus (Mouse) | 436 |
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