compound 38 [PMID: 22123324]
SMILES | CCCN[C@@H]1CC2(c3c1cccc3)CCN(CC2)Cc1ccc2c(c1)c1ccccc1n2C(=O)N |
InChIKey | LMNFAMWQPPUUNJ-AREMUKBSSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 466.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ETA | EDNRA | Human | Endothelin | A | pIC50 | 5.66 | 5.67 | 5.7 | ChEMBL |