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Name | CHEMBL60143 |
---|---|
Molecular formula | C31H41N3O5 |
IUPAC name | tert-butyl N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate |
Molecular weight | 535.685 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50220457 |
Inchi Key | ALQYYBXQKWSMNS-HHHXNRCGSA-N |
Inchi ID | InChI=1S/C31H41N3O5/c1-31(2,3)39-30(37)32-27(22-23-8-5-4-6-9-23)29(36)34-19-17-33(18-20-34)16-7-21-38-26-14-12-25(13-15-26)28(35)24-10-11-24/h4-6,8-9,12-15,24,27H,7,10-11,16-22H2,1-3H3,(H,32,37)/t27-/m1/s1 |
PubChem CID | 44304327 |
ChEMBL | CHEMBL60143 |
IUPHAR | N/A |
BindingDB | 50220457 |
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 |
---|---|---|---|---|---|
8521 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
8523 | Histamine H2 receptor | P25021 | HRH2 | Homo sapiens (Human) | 359 |
8522 | Histamine H3 receptor | Q9QYN8 | Hrh3 | Rattus norvegicus (Rat) | 445 |
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