CHEMBL141343
SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 |
InChIKey | KPZQRBACZSLMPH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 520.4 |
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 |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 4.88 | 4.88 | 4.88 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 4.82 | 4.82 | 4.82 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.76 | 5.76 | 5.76 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 4.25 | 4.25 | 4.25 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.22 | 5.22 | 5.22 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.25 | 5.25 | 5.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 4.57 | 4.57 | 4.57 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 4.76 | 4.76 | 4.76 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 4.83 | 4.83 | 4.83 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 4.24 | 4.24 | 4.24 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.29 | 6.29 | 6.29 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.12 | 5.12 | 5.12 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.6 | 4.6 | 4.6 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 4.97 | 4.97 | 4.97 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 4.97 | 4.97 | 4.97 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 4.78 | 4.78 | 4.78 | ChEMBL |