CHEMBL5222793
SMILES | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 |
InChIKey | KCCBFGKNVMTXIQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 367.2 |
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 |
H4 | HRH4 | Human | Histamine | A | pKi | 4.9 | 4.9 | 4.9 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKd | 7.8 | 7.8 | 7.8 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 7.71 | 7.71 | 7.71 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKd | 7.91 | 7.91 | 7.91 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.13 | 5.13 | 5.13 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKd | 8.35 | 8.35 | 8.35 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKd | 8.52 | 8.52 | 8.52 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKd | 10.59 | 10.59 | 10.59 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.63 | 6.63 | 6.63 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKd | 10.83 | 10.83 | 10.83 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H2 | HRH2 | Human | Histamine | A | pEC50 | 6.87 | 7.57 | 7.97 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 5.87 | 5.87 | 5.87 | ChEMBL |