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Compound Detail

CHEMBL497011

LINAPRAZAN
🧪 Phase II
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🧪 Phase II
Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497011
Name LINAPRAZAN
Phase Phase II
Structure Type MOL
InChI Key GHVIMBCFLRTFHI-UHFFFAOYSA-N

Known Names

AZD-0865 Linaprazan
4
Targets
11
Activities
1
Assay Types
6
PK Parameters
20
Publications
2
Known Names

Molecular Properties

366.5
MW (Da)
2.90
ALogP
5
HBA
3
HBD
78.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -prazan

Extended Properties

Molecular Formula C21H26N4O2
MW 366.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.23

Activity Summary

IC50 11 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.25 6.75 56.2 3
Cytochrome P450 3A4
CHEMBL340
 IC50 5.08 4.975 8400.0 4
Cytochrome P450 2C9
CHEMBL3397
 IC50 4.85 4.68 14000.0 2
Cytochrome P450 2D6
CHEMBL289
 IC50 4.34 4.29 46000.0 2

Pharmacokinetic Data

Parameter Value Units Species
CL 1.3 mL.min-1.g-1 Homo sapiens
CL 0.9 mL.min-1.g-1 Canis lupus familiaris
CL 4.0 mL.min-1.g-1 Rattus norvegicus
CL 1.3 mL.min-1.kg-1 Homo sapiens
CL 0.9 mL.min-1.kg-1 Canis lupus familiaris
CL 4.0 mL.min-1.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 56.23 nM 7.25 Inhibition of H+/K+ ATPase in parietal cells assessed as inhibition of pentagast... 19846298
Unchecked IC50 = 316.23 nM 6.5 Inhibition of H+/K+ ATPase 19467868
Unchecked IC50 = 316.23 nM 6.5 Inhibition of H+/K+ ATPase at pH 7.4 19846298
Cytochrome P450 3A4 IC50 = 8400.0 nM 5.08 Inhibition of CYP3A4 using diethoxyfluorescein as substrate 19467868
Cytochrome P450 3A4 IC50 = 9000.0 nM 5.05 Inhibition of CYP3A4 using diethoxyfluorescein substrate 19846298
Cytochrome P450 3A4 IC50 = 12000.0 nM 4.92 Inhibition of CYP3A4 using 7-benzyloxyquinoline substrate 19846298
Cytochrome P450 3A4 IC50 = 14000.0 nM 4.85 Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate 19467868
Cytochrome P450 2C9 IC50 = 14000.0 nM 4.85 Inhibition of CYP2C9 19467868
Cytochrome P450 2C9 IC50 = 31000.0 nM 4.51 Inhibition of CYP2C9 19846298
Cytochrome P450 2D6 IC50 = 46000.0 nM 4.34 Inhibition of CYP2D6 19467868
Cytochrome P450 2D6 IC50 = 58000.0 nM 4.24 Inhibition of CYP2D6 19846298

Literature References

PubMed DOI Target Context # Activities
19846298 10.1016/j.bmcl.2009.07.002 Cytochrome P450 3A4 4
19467868 10.1016/j.bmcl.2009.04.127 Unchecked 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
19846298 10.1016/j.bmcl.2009.07.002 Unchecked 2
19846298 10.1016/j.bmcl.2009.07.002 Cytochrome P450 2D6 2
19846298 10.1016/j.bmcl.2009.07.002 Liver microsomes 2
19846298 10.1016/j.bmcl.2009.07.002 No relevant target 2
19467868 10.1016/j.bmcl.2009.04.127 Liver microsomes 2
19467868 10.1016/j.bmcl.2009.04.127 Cytochrome P450 3A4 2
19467868 10.1016/j.bmcl.2009.04.127 ADMET 1
19467868 10.1016/j.bmcl.2009.04.127 Blood 1
19467868 10.1016/j.bmcl.2009.04.127 Rattus norvegicus 1
19467868 10.1016/j.bmcl.2009.04.127 No relevant target 1
19467868 10.1016/j.bmcl.2009.04.127 Cytochrome P450 1A2 1
19846298 10.1016/j.bmcl.2009.07.002 ADMET 1
19467868 10.1016/j.bmcl.2009.04.127 Cytochrome P450 2C9 1
19467868 10.1016/j.bmcl.2009.04.127 Cytochrome P450 2C19 1
19846298 10.1016/j.bmcl.2009.07.002 Cytochrome P450 2C19 1
19846298 10.1016/j.bmcl.2009.07.002 Cytochrome P450 2C9 1
19846298 10.1016/j.bmcl.2009.07.002 Cytochrome P450 1A2 1

Data from ChEMBL 36 via Core Engine