MP1104
SMILES | Ic1cccc(c1)C(=O)N[C@@H]1C=CC2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O |
InChIKey | WTIFKSFIQUZRRN-FMDQGZFPSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 554.1 |
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 | Rat | Endothelin | A | pIC50 | 8.98 | 8.98 | 8.98 | ChEMBL |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 4.53 | 4.53 | 4.53 | ChEMBL |