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Compound Detail

CHEMBL5095172

BRILAROXAZINE
🧪 Phase III
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🧪 Phase III
O=C1COc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095172
Name BRILAROXAZINE
Phase Phase III
Structure Type MOL
InChI Key PMKMNTBZJOXTJW-UHFFFAOYSA-N

Known Names

Brilaroxazine RP-5063 Rp5063
7
Targets
18
Activities
2
Assay Types
0
PK Parameters
0
Publications
3
Known Names
2
Indications

Molecular Properties

450.4
MW (Da)
4.31
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 2023

Extended Properties

Molecular Formula C22H25Cl2N3O3
MW 450.37
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.39

Indications

Schizophrenia Psychotic Disorders

Activity Summary

Ki 12 meas. best 9.72
IC50 6 meas. best 8.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2B
CHEMBL1833
 Ki 9.72 9.72 0.2 1
D(2) dopamine receptor
CHEMBL217
 Ki 9.21 9.21 0.6 2
Unchecked
CHEMBL612545
 Ki 9.21 9.21 0.6 1
5-hydroxytryptamine receptor 1A
CHEMBL214
 Ki 8.82 8.82 1.5 3
D(2) dopamine receptor
CHEMBL217
 IC50 8.71 8.71 2.0 1
Unchecked
CHEMBL612545
 IC50 8.71 8.71 2.0 1
5-hydroxytryptamine receptor 1A
CHEMBL214
 IC50 8.65 8.65 2.2 2
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 8.6 7.6867 2.5 3
5-hydroxytryptamine receptor 7
CHEMBL3155
 Ki 8.57 8.57 2.7 1
5-hydroxytryptamine receptor 6
CHEMBL3371
 Ki 7.29 7.29 51.0 1
5-hydroxytryptamine receptor 2A
CHEMBL224
 IC50 6.89 6.89 130.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2B Ki = 0.19 nM 9.72 Radioligand Binding Assay: Serotonin, 5HT1A: Materials and Methods:Receptor Sour... -
D(2) dopamine receptor Ki = 0.62 nM 9.21 Radioligand Binding Assay: Dopamine, D2s: Radioligand: [3H]Spiperone (20-60 Ci/m... -
D(2) dopamine receptor Ki = 0.61 nM 9.21 Binding Assay: Dopamine, D2S: Materials and Methods: Receptor Source: Human rec... -
Unchecked Ki = 0.61 nM 9.21 Binding Assay: Receptor Source: Human recombinant expressed in CHO cells Radiol... -
5-hydroxytryptamine receptor 1A Ki = 1.5 nM 8.82 Radioligand Binding Assay: Serotonin, 5HT1A: Materials and Methods:Receptor Sour... -
5-hydroxytryptamine receptor 1A Ki = 1.5 nM 8.82 Binding Assay: Serotonin, 5HT1A:Receptor Source: Human recombinant expressed in ... -
5-hydroxytryptamine receptor 1A Ki = 1.5 nM 8.82 Binding Assay: Receptor Source: Human recombinant expressed in HEK-293 cells Ra... -
D(2) dopamine receptor IC50 = 1.96 nM 8.71 Binding Assay: Dopamine, D2S: Materials and Methods: Receptor Source: Human rec... -
Unchecked IC50 = 1.96 nM 8.71 Binding Assay: Receptor Source: Human recombinant expressed in CHO cells Radiol... -
5-hydroxytryptamine receptor 1A IC50 = 2.25 nM 8.65 Binding Assay: Serotonin, 5HT1A:Receptor Source: Human recombinant expressed in ... -
5-hydroxytryptamine receptor 1A IC50 = 2.25 nM 8.65 Binding Assay: Receptor Source: Human recombinant expressed in HEK-293 cells Ra... -
5-hydroxytryptamine receptor 2A Ki = 2.5 nM 8.6 Radioligand Binding Assay: Serotonin, 5HT1A: Materials and Methods:Receptor Sour... -
5-hydroxytryptamine receptor 7 Ki = 2.7 nM 8.57 Radioligand Binding Assay: Serotonin, 5HT1A: Materials and Methods:Receptor Sour... -
5-hydroxytryptamine receptor 6 Ki = 51.0 nM 7.29 Radioligand Binding Assay: Serotonin, 5HT1A: Materials and Methods:Receptor Sour... -
5-hydroxytryptamine receptor 2A Ki = 58.5 nM 7.23 Binding Assay: Receptor Source: Human Cortex Radioligand: [3H]-Ketanserin (60-9... -
5-hydroxytryptamine receptor 2A Ki = 58.5 nM 7.23 Binding Assay: Serotonin, 5HT2A :Materials and Methods: Receptor Source: Human ... -
5-hydroxytryptamine receptor 2A IC50 = 130.0 nM 6.89 Binding Assay: Serotonin, 5HT2A :Materials and Methods: Receptor Source: Human ... -
5-hydroxytryptamine receptor 2A IC50 = 130.0 nM 6.89 Binding Assay: Receptor Source: Human Cortex Radioligand: [3H]-Ketanserin (60-9... -

Data from ChEMBL 36 via Core Engine