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Name | CHEMBL2373197 |
---|---|
Molecular formula | C31H36Cl2N4O2 |
IUPAC name | N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide |
Molecular weight | 567.555 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 6.0 |
Synonyms | N-Methyl-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-oxohexahydropyrimidine-1-yl)piperidino]butyl]naphthalene-1-carboxamide |
Inchi Key | LARXFZKZABEBQE-XMMPIXPASA-N |
Inchi ID | InChI=1S/C31H36Cl2N4O2/c1-35(30(38)27-9-4-7-22-6-2-3-8-26(22)27)21-24(23-10-11-28(32)29(33)20-23)12-17-36-18-13-25(14-19-36)37-16-5-15-34-31(37)39/h2-4,6-11,20,24-25H,5,12-19,21H2,1H3,(H,34,39)/t24-/m1/s1 |
PubChem CID | 73345761 |
ChEMBL | CHEMBL2373197 |
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 |
---|---|---|---|---|---|
182790 | Substance-K receptor | P79218 | TACR2 | Oryctolagus cuniculus (Rabbit) | 384 |
182791 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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