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Name | CHEMBL1744083 |
---|---|
Molecular formula | C37H46N6O2 |
IUPAC name | 1-[(3R)-2-oxo-5-(2-phenylethyl)-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea |
Molecular weight | 606.815 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 6.1 |
Synonyms | BDBM50370213 |
Inchi Key | WIYQBPUJBIMONN-DHUJRADRSA-N |
Inchi ID | InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1 |
PubChem CID | 11050306 |
ChEMBL | CHEMBL1744083 |
IUPHAR | N/A |
BindingDB | 50370213 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
374583 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
374584 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
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