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Name | CHEMBL1682670 |
---|---|
Molecular formula | C32H36Cl2N4O2 |
IUPAC name | (1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-[[4-(methylcarbamoylamino)-4-phenylpiperidin-1-yl]methyl]cyclopropane-1-carboxamide |
Molecular weight | 579.566 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 5.3 |
Synonyms | BDBM50337405 SCHEMBL2478876 (1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-(3-methylureido)-4-phenylpiperidin-1-yl)methyl)cyclopropanecarboxamide |
Inchi Key | BEUZUMJUVANYFS-XYFQYJLHSA-N |
Inchi ID | InChI=1S/C32H36Cl2N4O2/c1-35-30(40)36-31(24-11-7-4-8-12-24)15-17-38(18-16-31)22-26-20-32(26,25-13-14-27(33)28(34)19-25)29(39)37(2)21-23-9-5-3-6-10-23/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,35,36,40)/t26-,32+/m0/s1 |
PubChem CID | 53321008 |
ChEMBL | CHEMBL1682670 |
IUPHAR | N/A |
BindingDB | 50337405 |
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 |
---|---|---|---|---|---|
21939 | Neuromedin-K receptor | P29371 | TACR3 | Homo sapiens (Human) | 465 |
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