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Name | MLS000549502 |
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Molecular formula | C34H45N3O3 |
IUPAC name | N-[3-(adamantane-1-carbonylamino)-5-(piperidine-1-carbonyl)phenyl]adamantane-1-carboxamide |
Molecular weight | 543.752 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 5.7 |
Synonyms | AC1N802K SMR000114790 BDBM41588 N,N'-[5-(piperidin-1-ylcarbonyl)benzene-1,3-diyl]bistricyclo[3.3.1.1~3,7~]decane-1-carboxamide STL172005 [ Show all ] |
Inchi Key | CZWKWMBVBQSYHN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H45N3O3/c38-30(37-4-2-1-3-5-37)27-12-28(35-31(39)33-15-21-6-22(16-33)8-23(7-21)17-33)14-29(13-27)36-32(40)34-18-24-9-25(19-34)11-26(10-24)20-34/h12-14,21-26H,1-11,15-20H2,(H,35,39)(H,36,40) |
PubChem CID | 4287683 |
ChEMBL | CHEMBL1309450 |
IUPHAR | N/A |
BindingDB | 41588 |
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 |
---|---|---|---|---|---|
54726 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
54725 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
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