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Name | SMR000060487 |
---|---|
Molecular formula | C21H22ClN5O |
IUPAC name | 3-(4-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea |
Molecular weight | 395.891 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | HMS3519L17 STL268158 MLS002637386 AC1M4VSS CHEMBL1331143 [ Show all ] |
Inchi Key | AHEYNPUBKGBBDR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H22ClN5O/c22-16-10-12-17(13-11-16)23-21(28)27(18-7-3-1-4-8-18)15-20-25-24-19-9-5-2-6-14-26(19)20/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,23,28) |
PubChem CID | 2316531 |
ChEMBL | CHEMBL1331143 |
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 |
---|---|---|---|---|---|
463545 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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