PERLAPINE
SMILES | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 |
InChIKey | PWRPUAKXMQAFCJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 0 |
Molecular weight (Da) | 291.2 |
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 | 5.32 | 5.32 | 5.32 | ChEMBL |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.15 | 7.15 | 7.15 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.55 | 7.55 | 7.55 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.53 | 7.71 | 7.9 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.82 | 6.82 | 6.82 | PDSP Ki database |
D4 | DRD4 | Rat | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.3 | 6.3 | 6.3 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.22 | 7.22 | 7.22 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.52 | 7.71 | 7.89 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.52 | 7.52 | 7.52 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.04 | 6.04 | 6.04 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
H4 | HRH4 | Human | Histamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 5.57 | 5.57 | 5.57 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.25 | 8.25 | 8.25 | Drug Central |