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Compound Detail

CHEMBL123558

AZIMILIDE
🧪 Phase III
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🧪 Phase III
CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123558
Name AZIMILIDE
Phase Phase III
Structure Type MOL
InChI Key MREBEPTUUMTTIA-PCLIKHOPSA-N

Known Names

Azimilida Azimilide
3
Targets
9
Activities
1
Assay Types
4
PK Parameters
17
Publications
2
Known Names
1
Indications

Molecular Properties

458.0
MW (Da)
3.23
ALogP
6
HBA
0
HBD
72.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -ilide
USAN Year 1994

Extended Properties

Molecular Formula C23H28ClN5O3
MW 457.96
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.38

Indications

Heart Failure

Activity Summary

IC50 9 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL5557
 IC50 6.75 6.75 180.0 1
Potassium voltage-gated channel subfamily KQT member 1
CHEMBL5135
 IC50 6.62 6.62 240.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 6.4 6.1 400.0 7

Pharmacokinetic Data

Parameter Value Units Species
CL 2.4 mL.min-1.kg-1 Homo sapiens
Fu 0.06 - Homo sapiens
MRT 100.0 hr Homo sapiens
T1/2 79.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 180.0 nM 6.75 Inhibition of ERG in guinea pig ventricular myocytes assessed as blockade of rap... 19185489
Potassium voltage-gated channel subfamily KQT member 1 IC50 = 240.0 nM 6.62 Inhibition of KVLQT1/minK in guinea pig ventricular myocytes assessed as blockad... 19185489
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 400.0 nM 6.4 Inhibitory concentration against IKr potassium channel 15324906
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 560.0 nM 6.25 K+ channel blocking activity in Chinese hamster ovary cells expressing HERG Kv11... 12190308
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 562.34 nM 6.25 Inhibition of human ERG in MCF7 cells 19110341
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 562.34 nM 6.25 Inhibition of human ERG 21185626
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 1412.54 nM 5.85 Inhibition of human Potassium channel HERG expressed in mammalian cells 12873512
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 1412.54 nM 5.85 Inhibitory concentration against potassium channel HERG 15911273
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 1412.54 nM 5.85 Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniq... 18448342

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4295262 Unchecked 32
18426954 10.1124/dmd.108.020479 ADMET 4
19185489 10.1016/j.bmcl.2009.01.022 Heart 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
18448342 10.1016/j.bmc.2008.04.028 Voltage-gated inwardly rectifying potassium channel KCNH2 1
21185626 10.1016/j.ejmech.2010.11.042 Voltage-gated inwardly rectifying potassium channel KCNH2 1
18426954 10.1124/dmd.108.020479 NON-PROTEIN TARGET 1
19110341 10.1016/j.ejmech.2008.11.009 No relevant target 1
19110341 10.1016/j.ejmech.2008.11.009 Voltage-gated inwardly rectifying potassium channel KCNH2 1
12190308 10.1021/jm0208875 Voltage-gated inwardly rectifying potassium channel KCNH2 1
19185489 10.1016/j.bmcl.2009.01.022 Potassium voltage-gated channel subfamily KQT member 1 1
19185489 10.1016/j.bmcl.2009.01.022 Voltage-gated inwardly rectifying potassium channel KCNH2 1
15911273 10.1016/j.bmcl.2005.03.080 Voltage-gated inwardly rectifying potassium channel KCNH2 1
15324906 10.1016/j.bmcl.2004.06.070 Voltage-gated inwardly rectifying potassium channel KCNH2 1
12873512 10.1016/s0960-894x(03)00492-x Voltage-gated inwardly rectifying potassium channel KCNH2 1
12873507 10.1016/s0960-894x(03)00535-3 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine