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Name | DALTROBAN |
---|---|
Molecular formula | C16H16ClNO4S |
IUPAC name | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acid |
Molecular weight | 353.817 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | D03QGL DSSTox_GSID_46501 L000134 S25VDY08ZC Tox21_112262_1 [ Show all ] |
Inchi Key | IULOBWFWYDMECP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20) |
PubChem CID | 54343 |
ChEMBL | CHEMBL71685 |
IUPHAR | 1986 |
BindingDB | 50002805 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
142129 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
142130 | Thromboxane A2 receptor | P34978 | Tbxa2r | Rattus norvegicus (Rat) | 341 |
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