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Name | CHEMBL314637 |
---|---|
Molecular formula | C28H30N4O4 |
IUPAC name | [2-oxo-1-[[3-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl] N-phenylcarbamate |
Molecular weight | 486.572 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 4.3 |
Synonyms | BDBM50079005 Phenyl-carbamic acid 1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl ester 1-[3-(3-Isopropylureido)benzyl]-3-(phenylcarbamoyloxy)-4,5-dihydro-1H-1-benzazepine-2(3H)-one |
Inchi Key | AYSJIAXODNEOQL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H30N4O4/c1-19(2)29-27(34)30-23-13-8-9-20(17-23)18-32-24-14-7-6-10-21(24)15-16-25(26(32)33)36-28(35)31-22-11-4-3-5-12-22/h3-14,17,19,25H,15-16,18H2,1-2H3,(H,31,35)(H2,29,30,34) |
PubChem CID | 10552954 |
ChEMBL | CHEMBL314637 |
IUPHAR | N/A |
BindingDB | 50079005 |
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 |
---|---|---|---|---|---|
17744 | Neuropeptide Y receptor type 1 | P25929 | NPY1R | Homo sapiens (Human) | 384 |
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