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Compound Detail

CHEMBL69139

LIXAZINONE
🧪 Phase II
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🧪 Phase II
CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL69139
Name LIXAZINONE
Phase Phase II
Structure Type MOL
InChI Key WUECXCBONAGRSA-UHFFFAOYSA-N

Known Names

Lixazinona Lixazinone
6
Targets
13
Activities
2
Assay Types
8
PK Parameters
20
Publications
2
Known Names

Molecular Properties

384.5
MW (Da)
2.57
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1988

Extended Properties

Molecular Formula C21H28N4O3
MW 384.48
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.96

Activity Summary

IC50 10 meas. best 8.52
EC50 3 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
 IC50 8.52 8.102 3.0 5
Phosphodiesterase 4
CHEMBL2093863
 IC50 8.22 8.22 6.0 1
Homo sapiens
CHEMBL372
 IC50 7.3 7.0733 50.0 3
Oryctolagus cuniculus
CHEMBL374
 EC50 7.1 7.1 80.0 1
P2Y purinoceptor 12
CHEMBL2001
 EC50 7.0 6.68 100.0 2
Unchecked
CHEMBL612545
 IC50 6.96 6.96 110.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 256.7 ng.hr.mL-1 Canis lupus familiaris
AUC 268.0 ng.hr.mL-1 Canis lupus familiaris
Cmax 157.36 nM Canis lupus familiaris
Cmax 187.27 nM Canis lupus familiaris
T1/2 3.19 hr Canis lupus familiaris
T1/2 3.0 hr Canis lupus familiaris
Tmax 1.33 hr Canis lupus familiaris
Tmax 1.08 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 3.0 nM 8.52 Inhibition of human platelet PDE by inhibiting cyclic Adenosine monophosphate (c... 1321910
Phosphodiesterase 4 IC50 = 6.0 nM 8.22 In vitro inhibitory activity against platelet phosphodiesterase (PDE) 2846840
Phosphodiesterase 3 IC50 = 10.0 nM 8.0 In vitro inhibition of cyclic AMP phosphodiesterase from human platelets. 3027338
Phosphodiesterase 3 IC50 = 10.0 nM 8.0 Inhibition of platelet cAMP phosphodiesterase 2846839
Phosphodiesterase 3 IC50 = 10.0 nM 8.0 Inhibition of human recombinant PDE3 expressed in Escherichia coli 37077378
Phosphodiesterase 3 IC50 = 10.2 nM 7.99 Inhibition of human platelet cAMP phosphodiesterase 3027339
Homo sapiens IC50 = 50.0 nM 7.3 Inhibition of platelet aggregation 2846840
Oryctolagus cuniculus EC50 = 80.0 nM 7.1 Inhibition of platelet aggregation using collagen as activating agent in rabbit ... 1321910
P2Y purinoceptor 12 EC50 = 100.0 nM 7.0 Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activati... 1321910
Homo sapiens IC50 = 110.0 nM 6.96 Inhibition of ADP-induced platelet aggregation 3027338
Unchecked IC50 = 110.0 nM 6.96 Inhibition of ADP-induced platelet aggregation 3027339
Homo sapiens IC50 = 110.0 nM 6.96 Inhibition of ADP induced platelet aggregation 2846839
P2Y purinoceptor 12 EC50 = 440.0 nM 6.36 Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activati... 1321910

Literature References

PubMed DOI Target Context # Activities
2846840 10.1021/jm00119a015 Canis familiaris 10
2846839 10.1021/jm00119a014 Canis familiaris 4
3027339 10.1021/jm00385a012 Phosphodiesterase; PDE3 & PDE4 2
1321910 10.1021/jm00092a019 P2Y purinoceptor 12 2
2846839 10.1021/jm00119a014 Phosphodiesterase 3 1
37077378 10.1021/acsmedchemlett.3c00092 Phosphodiesterase 3 1
1321910 10.1021/jm00092a019 cGMP-dependent 3',5'-cyclic phosphodiesterase 1
1321910 10.1021/jm00092a019 Oryctolagus cuniculus 1
1321910 10.1021/jm00092a019 Phosphodiesterase 3 1
3027335 10.1021/jm00385a001 Beta-1 adrenergic receptor 1
3027335 10.1021/jm00385a001 Phosphodiesterase; PDE3 & PDE4 1
2846839 10.1021/jm00119a014 Homo sapiens 1
3027338 10.1021/jm00385a011 Phosphodiesterase 3 1
2846840 10.1021/jm00119a015 Homo sapiens 1
2846840 10.1021/jm00119a015 Phosphodiesterase 4 1
3027339 10.1021/jm00385a012 Homo sapiens 1
3027339 10.1021/jm00385a012 Unchecked 1
3027339 10.1021/jm00385a012 Phosphodiesterase 3 1
3027338 10.1021/jm00385a011 Homo sapiens 1
3027338 10.1021/jm00385a011 Unchecked 1

Data from ChEMBL 36 via Core Engine