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Compound Detail

CHEMBL429317

AVL-3288
Phase I
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Phase I
Cc1cc(/C(=C/Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL429317
Name AVL-3288
Phase Phase I
Structure Type MOL
InChI Key VMAKIACTLSBBIY-BOPFTXTBSA-N

Known Names

Anvylic-3288 Avl-3288 CCMI UCI-4083 XY-4083
3
Targets
12
Activities
3
Assay Types
1
PK Parameters
13
Publications
5
Known Names
2
Indications
1
Mechanisms

Molecular Properties

388.2
MW (Da)
5.38
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C19H15Cl2N3O2
MW 388.25
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.55

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Neuronal acetylcholine receptor protein alpha-7 subunit positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR Neuronal acetylcholine receptor subunit alpha-7 ✓ ✓

Indications

Psychotic Disorders Schizophrenia

Activity Summary

EC50 6 meas. best 6.3
IC50 3 meas. best 7.92
Ki 3 meas. best 8.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL4980
 Ki 8.35 8.2333 4.5 3
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL4980
 IC50 7.92 7.7967 12.0 3
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
 EC50 6.3 6.2 500.0 5
Unchecked
CHEMBL612545
 EC50 5.2 5.2 6300.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 150.0 nM Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuronal acetylcholine receptor subunit alpha-7 Ki = 4.5 nM 8.35 Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat hippocampus 17470817
Neuronal acetylcholine receptor subunit alpha-7 Ki = 4.5 nM 8.35 Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat amygdala 17470817
Neuronal acetylcholine receptor subunit alpha-7 Ki = 10.0 nM 8.0 Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat cortex 17470817
Neuronal acetylcholine receptor subunit alpha-7 IC50 = 12.0 nM 7.92 Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat hippocampus 17470817
Neuronal acetylcholine receptor subunit alpha-7 IC50 = 12.0 nM 7.92 Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat amygdala 17470817
Neuronal acetylcholine receptor subunit alpha-7 IC50 = 28.0 nM 7.55 Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat cortex 17470817
Neuronal acetylcholine receptor subunit alpha-7 EC50 = 500.0 nM 6.3 Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modul... 17470817
Neuronal acetylcholine receptor subunit alpha-7 EC50 = 600.0 nM 6.22 Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modul... 17470817
Neuronal acetylcholine receptor subunit alpha-7 EC50 = 700.0 nM 6.16 Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modul... 17470817
Neuronal acetylcholine receptor subunit alpha-7 EC50 = 700.0 nM 6.16 Positive allosteric modulation of human alpha7 nAChR expressed in Xenopus laevis... 34374537
Neuronal acetylcholine receptor subunit alpha-7 EC50 = 700.0 nM 6.16 Type-1 positive allosteric modulation of wild type human alpha7 nAChR expressed ... 38393821
Unchecked EC50 = 6300.0 nM 5.2 Activation of human GABAA alpha-2-beta-3-gamma-2L receptor expressed in Xenopus ... 17470817

Literature References

PubMed DOI Target Context # Activities
17470817 10.1073/pnas.0701321104 Neuronal acetylcholine receptor subunit alpha-7 12
17470817 10.1073/pnas.0701321104 Mus musculus 5
17470817 10.1073/pnas.0701321104 Unchecked 4
31755711 10.1021/acs.jmedchem.9b01569 ADMET 3
17470817 10.1073/pnas.0701321104 Rattus norvegicus 2
17470817 10.1073/pnas.0701321104 Brain 2
17470817 10.1073/pnas.0701321104 Neuronal acetylcholine receptor; alpha3/beta4 1
17470817 10.1073/pnas.0701321104 Neuronal acetylcholine receptor; alpha4/beta2 1
17470817 10.1073/pnas.0701321104 GABA-A receptor; alpha-2/beta-3/gamma-2 1
17470817 10.1073/pnas.0701321104 5-hydroxytryptamine receptor 3A 1
17470817 10.1073/pnas.0701321104 Neuronal acetylcholine receptor; alpha4/beta4 1
34374537 10.1021/acs.jmedchem.1c01058 Neuronal acetylcholine receptor subunit alpha-7 1
38393821 10.1021/acs.jmedchem.3c02323 Neuronal acetylcholine receptor subunit alpha-7 1

Data from ChEMBL 36 via Core Engine