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Compound Detail

CHEMBL2179529

AZD1446
🧪 Phase II
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🧪 Phase II
O=C(c1ccc(Cl)o1)N1CC2CNCC2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2179529
Name AZD1446
Phase Phase II
Structure Type MOL
InChI Key GTUIQNHJSXQMKW-UHFFFAOYSA-N

Known Names

Azd 1446 AZD-1446 Azd1446 Azd1446 free base AZD1446 HCL TC-6683 TC6683 TC6683 HCL
8
Targets
13
Activities
2
Assay Types
0
PK Parameters
16
Publications
8
Known Names
3
Indications
1
Mechanisms

Molecular Properties

240.7
MW (Da)
1.22
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Extended Properties

Molecular Formula C11H13ClN2O2
MW 240.69
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.25

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Neuronal acetylcholine receptor; alpha4/beta2 agonist AGONIST Neuronal acetylcholine receptor; alpha4/beta2 ✓ ✓

Indications

Alzheimer Disease Attention Deficit Disorder with Hyperactivity Cognitive Dysfunction

Activity Summary

Ki 9 meas. best 7.55
EC50 4 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-4
CHEMBL1882
 Ki 7.55 7.55 28.0 1
Neuronal acetylcholine receptor; alpha4/beta2
CHEMBL1907589
 Ki 7.52 7.52 30.0 2
Neuronal acetylcholine receptor subunit alpha-4
CHEMBL307
 Ki 7.48 7.48 33.0 1
Neuronal acetylcholine receptor; alpha4/beta2
CHEMBL1907596
 Ki 7.47 7.47 34.0 1
5-hydroxytryptamine receptor 3A
CHEMBL1899
 Ki 6.16 6.16 700.0 1
Neuronal acetylcholine receptor; alpha4/beta2
CHEMBL1907589
 EC50 5.31 5.31 4900.0 2
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
 Ki 5.17 5.17 6700.0 2
Neuronal acetylcholine receptor; alpha3/beta4
CHEMBL1907594
 EC50 4.16 4.16 70000.0 2
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL4980
 Ki 4.04 4.04 91000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuronal acetylcholine receptor subunit alpha-4 Ki = 28.0 nM 7.55 Radioligand Binding: The binding of [3H]MLA was measured using a modification of... -
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 30.0 nM 7.52 Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after ... 22793665
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 30.0 nM 7.52 Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membrane... 23692872
Neuronal acetylcholine receptor subunit alpha-4 Ki = 33.0 nM 7.48 Radioligand Binding: The binding of [3H]MLA was measured using a modification of... -
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 34.0 nM 7.47 Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat cor... 22793665
5-hydroxytryptamine receptor 3A Ki = 700.0 nM 6.16 Inhibition of human 5HT3 receptor 22793665
Neuronal acetylcholine receptor; alpha4/beta2 EC50 = 4900.0 nM 5.31 Agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium ... 22793665
Neuronal acetylcholine receptor; alpha4/beta2 EC50 = 4900.0 nM 5.31 Agonist activity at alpha4beta2 nACHR in human SHEP1 cell membranes assessed as ... 23692872
Neuronal acetylcholine receptor subunit alpha-7 Ki = 6700.0 nM 5.17 Displacement of [3H]epibatidine from human alpha7 nAChR expressed in CHO cells a... 22793665
Neuronal acetylcholine receptor subunit alpha-7 Ki = 6700.0 nM 5.17 Displacement of [3H]Epibatidine from human alpha7 nACHR expressed in CHO cell me... 23692872
Neuronal acetylcholine receptor; alpha3/beta4 EC50 = 70000.0 nM 4.16 Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as c... 22793665
Neuronal acetylcholine receptor; alpha3/beta4 EC50 = 70000.0 nM 4.16 Agonist activity at human alpha3beta4 nACHR expressed in CHO cell membranes asse... 23692872
Neuronal acetylcholine receptor subunit alpha-7 Ki = 91000.0 nM 4.04 Radioligand Binding: The binding of [3H]MLA was measured using a modification of... -

Literature References

PubMed DOI Target Context # Activities
22793665 10.1021/jm3006542 Neuronal acetylcholine receptor; alpha4/beta2 4
22793665 10.1021/jm3006542 5-hydroxytryptamine receptor 3A 3
22793665 10.1021/jm3006542 Neuronal acetylcholine receptor; alpha3/beta4 3
23692872 10.1016/j.bmcl.2013.04.058 Neuronal acetylcholine receptor; alpha3/beta4 3
23692872 10.1016/j.bmcl.2013.04.058 Neuronal acetylcholine receptor; alpha4/beta2 3
22793665 10.1021/jm3006542 Rattus norvegicus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
22793665 10.1021/jm3006542 Voltage-gated inwardly rectifying potassium channel KCNH2 1
22793665 10.1021/jm3006542 Cytochrome P450 2D6 1
22793665 10.1021/jm3006542 Unchecked 1
22793665 10.1021/jm3006542 Acetylcholine receptor; alpha1/beta1/delta/gamma 1
22793665 10.1021/jm3006542 Neuronal acetylcholine receptor subunit alpha-7 1
23692872 10.1016/j.bmcl.2013.04.058 Neuronal acetylcholine receptor subunit alpha-7 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine