compound (+)17a [PMID: 20363624]
SMILES | n1nnc([nH]1)c1n[nH]c2c1CC1C2C1 |
InChIKey | DKSPRNJUDCWTID-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 1 |
Molecular weight (Da) | 188.1 |
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 | 8.17 | 8.17 | 8.17 | ChEMBL |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 6.19 | 6.19 | 6.19 | ChEMBL |