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Name | SMR000013800 |
---|---|
Molecular formula | C18H20ClN5O2 |
IUPAC name | 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(4-methylanilino)purine-2,6-dione |
Molecular weight | 373.841 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | 7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-[(4-methylphenyl)amino]-3,7-dihydro-1H-purine-2,6-dione MLS000034589 AKOS000580309 7-((E)-3-Chloro-but-2-enyl)-1,3-dimethyl-8-p-tolylamino-3,7-dihydro-purine-2,6-dione CHEMBL1458647 [ Show all ] |
Inchi Key | AGPXDKZLKIFABY-FMIVXFBMSA-N |
Inchi ID | InChI=1S/C18H20ClN5O2/c1-11-5-7-13(8-6-11)20-17-21-15-14(24(17)10-9-12(2)19)16(25)23(4)18(26)22(15)3/h5-9H,10H2,1-4H3,(H,20,21)/b12-9+ |
PubChem CID | 1084957 |
ChEMBL | CHEMBL1458647 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5110 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
5111 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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