Compound Detail
CHEMBL47050
PENFLURIDOL 🧪 Phase II
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🧪 Phase II
OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL47050 |
| Name | PENFLURIDOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MDLAAYDRRZXJIF-UHFFFAOYSA-N |
32
Targets
45
Activities
3
Assay Types
0
PK Parameters
20
Publications
8
Known Names
1
Indications
Molecular Properties
524.0
MW (Da)
7.53
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Psychotic Disorders
ATC Classification
N05AG03
penfluridol
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Activity Summary
Ki 25 meas. best 6.9
IC50 19 meas. best 7.21
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.9 | 6.9 | 125.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.87 | 6.87 | 136.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.83 | 6.83 | 147.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.8 | 6.8 | 159.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.78 | 5.9386 | 167.5 | 7 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.74 | 6.74 | 184.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.45 | 6.45 | 356.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.44 | 6.44 | 361.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.4 | 6.4 | 401.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.35 | 6.35 | 445.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 6.29 | 6.29 | 515.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.23 | 6.23 | 588.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.22 | 6.22 | 602.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.06 | 6.06 | 867.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.05 | 6.05 | 881.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.77 | 5.77 | 1714.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.77 | 5.77 | 1714.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.64 | 5.36 | 2300.0 | 4 |
| H4 CHEMBL1075452 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.45 | 5.45 | 3560.0 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 5.38 | 5.3233 | 4200.0 | 3 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.3 | 5.3 | 5010.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 5.22 | 5.2167 | 6010.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine