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Name | CHEMBL2373191 |
---|---|
Molecular formula | C34H40Cl2N4O3 |
IUPAC name | 1-[(3S)-3-(3,4-dichlorophenyl)-4-[methyl(naphthalene-1-carbonyl)amino]butyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide |
Molecular weight | 623.619 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.6 |
Synonyms | N-Methyl-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(methylcarbamoyl)-4-(2-oxopiperidino)piperidino]butyl]naphthalene-1-carboxamide |
Inchi Key | JOQPSSZWMNCVRG-AREMUKBSSA-N |
Inchi ID | InChI=1S/C34H40Cl2N4O3/c1-37-33(43)34(40-18-6-5-12-31(40)41)16-20-39(21-17-34)19-15-26(25-13-14-29(35)30(36)22-25)23-38(2)32(42)28-11-7-9-24-8-3-4-10-27(24)28/h3-4,7-11,13-14,22,26H,5-6,12,15-21,23H2,1-2H3,(H,37,43)/t26-/m1/s1 |
PubChem CID | 73347244 |
ChEMBL | CHEMBL2373191 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
156147 | Substance-K receptor | P79218 | TACR2 | Oryctolagus cuniculus (Rabbit) | 384 |
156146 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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