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Name | Mdl-29951 |
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Molecular formula | C12H9Cl2NO4 |
IUPAC name | 3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid |
Molecular weight | 302.107 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.9 |
Synonyms | 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID BCP08592 CS-1958 KB-78296 Oprea1_596892 [ Show all ] |
Inchi Key | KNBSYZNKEAWABY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19) |
PubChem CID | 446916 |
ChEMBL | CHEMBL31344 |
IUPHAR | N/A |
BindingDB | 50004952 |
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 |
---|---|---|---|---|---|
173234 | Uracil nucleotide/cysteinyl leukotriene receptor | Q13304 | GPR17 | Homo sapiens (Human) | 367 |
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