L-803,087
SMILES | COC(=O)C(CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C(C=C(C=C12)F)F)C3=CC=CC=C3 |
InChIKey | OPNMQSFIGUSHDH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 485.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST1 | SSR1 | Human | Somatostatin | A | pKi | 6.7 | 6.7 | 6.7 | PDSP Ki database |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 5.89 | 5.89 | 5.89 | PDSP Ki database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 9.15 | 9.33 | 9.7 | PDSP Ki database |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 5.41 | 5.41 | 5.41 | PDSP Ki database |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.33 | 5.33 | 5.33 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |