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Name | CHEMBL185572 |
---|---|
Molecular formula | C27H39Cl2N3O2 |
IUPAC name | (5S)-1-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one |
Molecular weight | 508.528 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 5.1 |
Synonyms | BDBM50409627 |
Inchi Key | GUIGWNGIQKNZBN-HHHXNRCGSA-N |
Inchi ID | InChI=1S/C27H39Cl2N3O2/c28-24-7-6-22(16-25(24)29)27(10-11-30-18-23(19-30)31-12-14-34-15-13-31)9-8-26(33)32(20-27)17-21-4-2-1-3-5-21/h6-7,16,21,23H,1-5,8-15,17-20H2/t27-/m1/s1 |
PubChem CID | 10929285 |
ChEMBL | CHEMBL185572 |
IUPHAR | N/A |
BindingDB | 50409627 |
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 |
---|---|---|---|---|---|
105592 | Substance-K receptor | P79218 | TACR2 | Oryctolagus cuniculus (Rabbit) | 384 |
105593 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
105591 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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