DPDPE
SMILES | CC1(C(C(=O)NCC(=O)NC(C(=O)NC(C(SS1)(C)C)C(=O)O)CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)N)C |
InChIKey | MCMMCRYPQBNCPH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 7 |
Rotatable bonds | 7 |
Molecular weight (Da) | 645.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Mouse | Opioid | A | pKi | 7.12 | 7.13 | 7.15 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 6.37 | 6.37 | 6.37 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 7.77 | 8.37 | 9.06 | PDSP Ki database |
δ | OPRD | Mouse | Opioid | A | pKi | 8.47 | 8.47 | 8.47 | PDSP Ki database |
δ | OPRD | Rat | Opioid | A | pKi | 5.99 | 7.29 | 8.67 | PDSP Ki database |
μ | OPRM | Rat | Opioid | A | pKi | 6.42 | 6.42 | 6.42 | PDSP Ki database |
κ | OPRK | Rat | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |