A-119637
SMILES | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 |
InChIKey | HLVQBOYEHQRWHG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 462.2 |
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 |
DP1 | PD2R | Human | Prostanoid | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
DP1 | PD2R | Human | Prostanoid | A | pKi | 6.62 | 6.62 | 6.62 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pIC50 | 6.28 | 6.28 | 6.28 | ChEMBL |