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Name | CHEMBL231261 |
---|---|
Molecular formula | C29H37Cl2N5O3S |
IUPAC name | 1-[(3,4-dichlorophenyl)carbamothioylamino]-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide |
Molecular weight | 606.607 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 4.5 |
Synonyms | N/A |
Inchi Key | CVURWAPIHYSXSB-RUZDIDTESA-N |
Inchi ID | InChI=1S/C29H37Cl2N5O3S/c30-23-10-9-22(20-24(23)31)33-28(40)35-29(11-4-5-12-29)27(38)34-25(19-21-7-2-1-3-8-21)26(37)32-13-6-14-36-15-17-39-18-16-36/h1-3,7-10,20,25H,4-6,11-19H2,(H,32,37)(H,34,38)(H2,33,35,40)/t25-/m1/s1 |
PubChem CID | 23625784 |
ChEMBL | CHEMBL231261 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
51791 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
51792 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
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