(1R,13S,14R)-24-(cyclopropylmethyl)-13,20-dihydroxy-4,24-diazahexacyclo[12.7.3.0^{1,13}.0^{3,11}.0^{5,10}.0^{16,21}]tetracosa-3(11),5(10),6,8,16(21),17,19-heptaene-19-carboxamide
SMILES | C1CC1CN2CCC34CC5=C(CC3(C2CC6=C4C(=C(C=C6)C(=O)N)O)O)C7=CC=CC=C7N5 |
InChIKey | SYDFANRJNFCVKV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 443.2 |
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 |
κ | OPRK | Human | Opioid | A | pKi | 9.09 | 9.09 | 9.09 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 9.29 | 9.29 | 9.29 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 10.6 | 10.6 | 10.6 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |