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Name | MLS000551396 |
---|---|
Molecular formula | C22H20BrClN4O3 |
IUPAC name | 4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxobutanoic acid |
Molecular weight | 503.781 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | cid_1386650 ST50759232 4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-4-oxobutanoic acid 4-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid AC1LR1RG [ Show all ] |
Inchi Key | CJWRZEGXLDKDGH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H20BrClN4O3/c23-14-5-6-18-16(13-14)21(15-3-1-2-4-17(15)24)26-22(25-18)28-11-9-27(10-12-28)19(29)7-8-20(30)31/h1-6,13H,7-12H2,(H,30,31) |
PubChem CID | 1386650 |
ChEMBL | CHEMBL1333441 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
43774 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
468281 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
43772 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
43775 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
43773 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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