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Compound Detail

CHEMBL14376

ILOPERIDONE
💊 Approved Drug
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💊 Approved Drug
COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL14376
Name ILOPERIDONE
Phase Approved
Structure Type MOL
InChI Key XMXHEBAFVSFQEX-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Fanapt HP 873 HP-873 Iloperidona Iloperidone
9
Targets
9
Activities
1
Assay Types
1
PK Parameters
20
Publications
5
Known Names
5
Indications
2
Mechanisms

Molecular Properties

426.5
MW (Da)
4.83
ALogP
6
HBA
0
HBD
64.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2009
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Black Box Warning
USAN Year 1993

Extended Properties

Molecular Formula C24H27FN2O4
MW 426.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.21

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dopamine D2 receptor antagonist ANTAGONIST D(2) dopamine receptor ✓ ✓
Serotonin 2a (5-HT2a) receptor antagonist ANTAGONIST 5-hydroxytryptamine receptor 2A ✓ ✓

Indications

Psychotic Disorders Schizophrenia Bipolar Disorder Stress Disorders, Post-Traumatic Liver Diseases

ATC Classification

N05AX14
iloperidone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Drug Warnings

Black Box Warning
psychiatric toxicity
Country: United States

Activity Summary

IC50 9 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-2A adrenergic receptor
CHEMBL327
 IC50 9.4 9.4 0.4 1
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
 IC50 8.05 8.05 9.0 1
5-hydroxytryptamine receptor 2A
CHEMBL3446
 IC50 8.05 8.05 9.0 1
Sigma non-opioid intracellular receptor 1
CHEMBL287
 IC50 7.19 7.19 64.0 1
D(2) dopamine receptor
CHEMBL217
 IC50 6.96 6.96 110.0 1
D(2) dopamine receptor
CHEMBL339
 IC50 6.96 6.96 110.0 1
5-hydroxytryptamine receptor 1A
CHEMBL3737
 IC50 6.68 6.68 210.0 1
D(1A) dopamine receptor
CHEMBL3071
 IC50 6.12 6.12 750.0 1
Bile salt export pump
CHEMBL6020
 IC50 4.63 4.63 23400.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 45.21 ng.hr.mL-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-2A adrenergic receptor IC50 = 0.4 nM 9.4 Binding affinity against Alpha-1 adrenergic receptor was determined using [3H]WB... 7707315
Serotonin 2 (5-HT2) receptor IC50 = 9.0 nM 8.05 Affinity for 5-hydroxytryptamine 2 receptor binding sites by its ability to disp... 7707315
5-hydroxytryptamine receptor 2A IC50 = 9.0 nM 8.05 Binding affinity against 5-hydroxytryptamine 2 receptor was determined using [ [... 7707315
Sigma non-opioid intracellular receptor 1 IC50 = 64.0 nM 7.19 Binding affinity against sigma receptor using [3H]-( +)-SKF10,047 radioligand 7707315
D(2) dopamine receptor IC50 = 110.0 nM 6.96 Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]s... 7707315
D(2) dopamine receptor IC50 = 110.0 nM 6.96 Binding affinity against Dopamine receptor D2 was determined using [ [3H]-spiper... 7707315
5-hydroxytryptamine receptor 1A IC50 = 210.0 nM 6.68 Binding affinity against 5-hydroxytryptamine 1A receptor was determined using [3... 7707315
D(1A) dopamine receptor IC50 = 750.0 nM 6.12 Binding affinity against Dopamine receptor D1 was determined using [3H]SCH-23390... 7707315
Bile salt export pump IC50 = 23400.0 nM 4.63 Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... 23956101

Literature References

PubMed DOI Target Context # Activities
7707315 10.1021/jm00007a009 Rattus norvegicus 12
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 5
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 3
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 3
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 3
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 3
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 2
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A1 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 2
37468498 10.1038/s41467-023-40064-9 Glucocorticoid receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2

Data from ChEMBL 36 via Core Engine