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Compound Detail

CHEMBL46516

FLUSPIRILENE
🧪 Phase III
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🧪 Phase III
O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46516
Name FLUSPIRILENE
Phase Phase III
Structure Type MOL
InChI Key QOYHHIBFXOOADH-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Fluspirilene Fluspirileno Imap MCN-JR-6218 R 6218 R-6218 Redeptin
11
Targets
20
Activities
3
Assay Types
0
PK Parameters
20
Publications
7
Known Names
5
Indications
1
Mechanisms

Molecular Properties

475.6
MW (Da)
5.31
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1970

Extended Properties

Molecular Formula C29H31F2N3O
MW 475.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.58

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dopamine D2 receptor inhibitor INHIBITOR D(2) dopamine receptor ✓ ✓

Indications

Psychotic Disorders Anxiety Dementia Depressive Disorder Schizophrenia

ATC Classification

N05AG01
fluspirilene
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

IC50 14 meas. best 5.7
EC50 3 meas. best 5.92
Ki 3 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2B
CHEMBL1833
 Ki 6.82 6.82 151.4 1
Nociceptin receptor
CHEMBL2014
 Ki 6.3 6.3 500.0 1
5-hydroxytryptamine receptor 6
CHEMBL3371
 Ki 5.92 5.92 1188.0 1
Glycine receptor subunit alpha-1
CHEMBL5845
 EC50 5.92 5.92 1200.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.7 5.2857 1995.3 7
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 5.64 5.64 2300.0 1
H4
CHEMBL1075452
 EC50 5.62 5.62 2400.0 1
SARS-CoV-2
CHEMBL4303835
 IC50 5.5 5.385 3160.0 2
Unchecked
CHEMBL612545
 IC50 5.09 4.63 8086.0 3
X-box-binding protein 1
CHEMBL1741176
 IC50 5.0 5.0 10000.0 1
Protein RecA
CHEMBL1741171
 EC50 4.7 4.7 20200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2B Ki = 151.4 nM 6.82 Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells ... 20958049
Nociceptin receptor Ki = 500.0 nM 6.3 Displacement of [125I]nociceptin from human NOP expressed in CHO cells 19147350
Glycine receptor subunit alpha-1 EC50 = 1200.0 nM 5.92 Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed a... 25790278
5-hydroxytryptamine receptor 6 Ki = 1188.0 nM 5.92 Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after... 22537153
Plasmodium falciparum IC50 = 1995.26 nM 5.7 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 1995.26 nM 5.7 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 2300.0 nM 5.64 Inhibitory concentration against IKr potassium channel 15324906
H4 EC50 = 2400.0 nM 5.62 Induction of autophagy in human H4 cells expressing LC3 using DAPI staining afte... 21126871
SARS-CoV-2 IC50 = 3160.0 nM 5.5 IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 da... -
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
SARS-CoV-2 IC50 = 5320.0 nM 5.27 IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 day... -
Plasmodium falciparum IC50 = 6309.57 nM 5.2 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Unchecked IC50 = 8085.98 nM 5.09 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... -
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
X-box-binding protein 1 IC50 = 10000.0 nM 5.0 PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... -
Protein RecA EC50 = 20200.0 nM 4.7 PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... -
Unchecked IC50 = 36840.0 nM 4.43 PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... -
Unchecked IC50 = 43180.0 nM 4.37 PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... -

Literature References

PubMed DOI Target Context # Activities
18024584 10.1073/pnas.0709695104 H4 13
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
25790278 10.1021/jm501873p Glycine receptor subunit alpha-1 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
- 10.1101/2020.03.25.008482 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
24249037 10.1007/s11095-013-1232-z No relevant target 2
- 10.1101/2020.03.25.008482 Vero C1008 2
- 10.1101/2020.03.25.008482 ADMET 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
18027916 10.1021/jm070524a No relevant target 2
37468498 10.1038/s41467-023-40064-9 Voltage-dependent L-type calcium channel subunit alpha-1C 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
2859371 10.1021/jm50001a013 Rattus norvegicus 2
- 10.6019/CHEMBL4651402 Vero C1008 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2

Data from ChEMBL 36 via Core Engine