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Name | SMR000064170 |
---|---|
Molecular formula | C23H21N5O2 |
IUPAC name | 1-[(3Z)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea |
Molecular weight | 399.454 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.5 |
Synonyms | SR-01000605687-2 1-[(3Z)-3-(1-cyano-2-oxidanylidene-2-pyrrolidin-1-yl-ethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea HMS2427C22 AC1M2P4L CHEMBL1412676 [ Show all ] |
Inchi Key | AIIIOOSCEKLGFK-VXPUYCOJSA-N |
Inchi ID | InChI=1S/C23H21N5O2/c1-15-8-10-16(11-9-15)25-23(30)27-21-18-7-3-2-6-17(18)20(26-21)19(14-24)22(29)28-12-4-5-13-28/h2-3,6-11H,4-5,12-13H2,1H3,(H2,25,26,27,30)/b20-19- |
PubChem CID | 2121656 |
ChEMBL | CHEMBL1412676 |
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 |
---|---|---|---|---|---|
6239 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
6238 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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