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 |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 5.22 | 5.22 | 5.22 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | pIC50 | 7.37 | 7.37 | 7.37 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | pIC50 | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |