DEPX
SMILES | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 |
InChIKey | LVSWNSHUTPWCNF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 284.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ETA | EDNRA | Human | Endothelin | A | pIC50 | 8.47 | 8.47 | 8.47 | Guide to Pharmacology |
ETA | EDNRA | Human | Endothelin | A | pA2 | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
ETB | EDNRB | Human | Endothelin | A | pA2 | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 6.01 | 6.01 | 6.01 | Guide to Pharmacology |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
ETA | EDNRA | Human | Endothelin | A | pIC50 | 8.47 | 8.47 | 8.47 | ChEMBL |