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Name | butaprost acid |
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Molecular formula | C23H38O5 |
IUPAC name | 7-[(1R,2R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoic acid |
Molecular weight | 394.552 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 3.9 |
Synonyms | SR-01000946411-1 butaprost (free acid form) CHEMBL1628262 (1R)-2beta-[(1E,4S)-4-Hydroxy-4-(1-propylcyclobutyl)-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-heptanoic acid HMS3648D13 [ Show all ] |
Inchi Key | PAYNQYXOKJDXAV-ZHIWTBQHSA-N |
Inchi ID | InChI=1S/C23H38O5/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h7,10,17-18,20-21,25-26H,2-6,8-9,11-16H2,1H3,(H,27,28)/b10-7+/t17-,18-,20-,21+/m1/s1 |
PubChem CID | 25886893 |
ChEMBL | CHEMBL1628262 |
IUPHAR | 1892 |
BindingDB | 50016954 |
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 |
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255310 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
554541 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
255308 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
255307 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
554542 | Prostaglandin E2 receptor EP2 subtype | Q62928 | Ptger2 | Rattus norvegicus (Rat) | 357 |
255306 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
554540 | Prostaglandin E2 receptor EP3 subtype | P34980 | Ptger3 | Rattus norvegicus (Rat) | 365 |
255312 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
554543 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
554539 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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