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Name | Adenosine receptor A1 |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Adora1 |
Synonym | A1 receptor A1-AR A1R adenosine receptor A1 RDC7 |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED |
UniProt | P25099 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL318 |
IUPHAR | 18 |
DrugBank | N/A |
Name | FK-453 |
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Molecular formula | C23H25N3O2 |
IUPAC name | (E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one |
Molecular weight | 375.472 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | (R)-1-(2-(2-hydroxyethyl)piperidin-1-yl)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one AC1O5QYH FK453 LS-115475 121524-18-3 [ Show all ] |
Inchi Key | OPLOPFHUHFGKMJ-JXOMPUQVSA-N |
Inchi ID | InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1 |
PubChem CID | 6439091 |
ChEMBL | CHEMBL440115 |
IUPHAR | 5606 |
BindingDB | 50079652 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 17.0 nM | PMID10450966, PMID20188574 | BindingDB,ChEMBL |
IC50 | 17.2 nM | PMID11170626, PMID20188574 | BindingDB,ChEMBL |
IC50 | 10100.0 nM | , Bioorg. Med. Chem. Lett., (1996) 6:17:2059 | BindingDB,ChEMBL |
K | 727.0 u equiv kg-1 | PMID10072675 | ChEMBL |
Ki | 0.4898 nM | PMID10072675 | ChEMBL |
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