KMN-159
SMILES | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F |
InChIKey | ZSUOOBFOIDLLEI-GPVXIOJZSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 399.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 9.42 | 9.42 | 9.42 | Guide to Pharmacology |
EP2 | PE2R2 | Human | Prostanoid | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 9.31 | 9.37 | 9.42 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pKi | 9.62 | 9.62 | 9.62 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 5.13 | 5.13 | 5.13 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 8.58 | 9.67 | 10.42 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |