PI1
SMILES | CCN(C(=O)CCC1(c2ccc(cc2)Cl)n2ccnc2c2c1c(OC)ccc2)CC |
InChIKey | YBTRRYYNHWVJLG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 423.2 |
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 |
BB3 | BRS3 | Rat | Bombesin | A | pEC50 | 6.76 | 6.76 | 6.76 | ChEMBL |
BB3 | BRS3 | Mouse | Bombesin | A | pEC50 | 6.62 | 6.62 | 6.62 | ChEMBL |
BB3 | BRS3 | Human | Bombesin | A | pEC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
BB3 | BRS3 | Human | Bombesin | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |