INCB3344
SMILES | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 |
InChIKey | MZEOSVPWMSEFPW-UTWBDPIXSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 577.2 |
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 |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.0 | 6.25 | 6.5 | Guide to Pharmacology |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 6.41 | 6.54 | 6.67 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 6.52 | 7.08 | 7.8 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 5.96 | 6.88 | 7.89 | ChEMBL |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 6.51 | 6.51 | 6.51 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Rat | Cannabinoid | A | pEC50 | 6.5 | 6.71 | 6.92 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pEC50 | 6.58 | 6.86 | 7.14 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 7.12 | 7.12 | 7.12 | ChEMBL |