PENFLURIDOL
SMILES | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
InChIKey | MDLAAYDRRZXJIF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 523.2 |
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 |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.45 | 5.45 | 5.45 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.83 | 6.83 | 6.83 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.74 | 6.74 | 6.74 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.87 | 6.87 | 6.87 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.44 | 6.44 | 6.44 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 6.82 | 7.03 | 7.23 | PDSP Ki database |
D4 | DRD4 | Rat | Dopamine | A | pKi | 7.51 | 7.51 | 7.51 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.68 | 5.68 | 5.68 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.8 | 5.8 | 5.8 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 8.25 | 8.25 | 8.25 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
H2 | HRH2 | Human | Histamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
δ | OPRD | Human | Opioid | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
κ | OPRK | Human | Opioid | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |