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Name | CHEMBL441115 |
---|---|
Molecular formula | C32H40N4O4 |
IUPAC name | (2S)-N-(3-morpholin-4-ylpropyl)-3-phenyl-2-[[4-(4-propan-2-ylphenoxy)phenyl]carbamoylamino]propanamide |
Molecular weight | 544.696 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 4.9 |
Synonyms | (S)-2-{3-[4-(4-Isopropyl-phenoxy)-phenyl]-ureido}-N-(3-morpholin-4-yl-propyl)-3-phenyl-propionamide BDBM50159873 |
Inchi Key | AKCNXMUAPPMEEU-PMERELPUSA-N |
Inchi ID | InChI=1S/C32H40N4O4/c1-24(2)26-9-13-28(14-10-26)40-29-15-11-27(12-16-29)34-32(38)35-30(23-25-7-4-3-5-8-25)31(37)33-17-6-18-36-19-21-39-22-20-36/h3-5,7-16,24,30H,6,17-23H2,1-2H3,(H,33,37)(H2,34,35,38)/t30-/m0/s1 |
PubChem CID | 44390553 |
ChEMBL | CHEMBL441115 |
IUPHAR | N/A |
BindingDB | 50159873 |
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 |
---|---|---|---|---|---|
7432 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
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