quadazocine
SMILES | O=C(CCC1(C)[C@H]2Cc3c([C@]1(C)CCN2C)cc(cc3)O)CCC1CCCC1 |
InChIKey | LOYWOYCPSWPKFH-CSIQULDISA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 383.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 6.15 | 6.15 | 6.15 | Guide to Pharmacology |
FP | PF2R | Human | Prostanoid | A | pKi | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
TP | TA2R | Human | Prostanoid | A | pKi | 4.3 | 4.3 | 4.3 | Guide to Pharmacology |
FP | PF2R | Mouse | Prostanoid | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
FP | PF2R | Mouse | Prostanoid | A | pKi | 8.42 | 8.42 | 8.42 | PDSP Ki database |
EP3 | PE2R3 | Bovine | Prostanoid | A | pKi | 5.46 | 5.48 | 5.5 | PDSP Ki database |
FP | PF2R | Bovine | Prostanoid | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 6.15 | 6.15 | 6.15 | PDSP Ki database |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
DP1 | PD2R | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
IP | PI2R | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
FP | PF2R | Human | Prostanoid | A | pKi | 8.64 | 8.64 | 8.64 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
FP | PF2R | Human | Prostanoid | A | pEC50 | 8.44 | 8.44 | 8.44 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 5.47 | 5.47 | 5.47 | ChEMBL |