SKF-38393
SMILES | Oc1cc2CCNCC(c2cc1O)c1ccccc1 |
InChIKey | JUDKOGFHZYMDMF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 1 |
Molecular weight (Da) | 255.1 |
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 |
ETA | EDNRA | Human | Endothelin | A | pKi | 9.89 | 9.89 | 9.89 | Guide to Pharmacology |
ETB | EDNRB | Human | Endothelin | A | pKi | 6.76 | 6.76 | 6.76 | Guide to Pharmacology |
ETB | EDNRB | Human | Endothelin | A | pKi | 6.76 | 6.76 | 6.76 | ChEMBL |
ETA | EDNRA | Human | Endothelin | A | pKi | 9.89 | 9.89 | 9.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ETA | EDNRA | Human | Endothelin | A | pA2 | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 6.76 | 6.76 | 6.76 | ChEMBL |
ETA | EDNRA | Human | Endothelin | A | pIC50 | 8.77 | 8.77 | 8.77 | ChEMBL |