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Compound Detail

CHEMBL3306918

PRX-03140
🧪 Phase II
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🧪 Phase II
CC(C)n1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccsc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3306918
Name PRX-03140
Phase Phase II
Structure Type MOL
InChI Key SCHKZZSVELPJKU-UHFFFAOYSA-N

Known Names

Prx-03140
2
Targets
7
Activities
2
Assay Types
9
PK Parameters
7
Publications
1
Known Names
1
Indications
1
Mechanisms

Molecular Properties

377.5
MW (Da)
2.96
ALogP
6
HBA
2
HBD
74.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C19H27N3O3S
MW 377.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.31

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Serotonin 4 (5-HT4) receptor partial agonist PARTIAL AGONIST 5-hydroxytryptamine receptor 4 ✓ ✓

Indications

Alzheimer Disease

Activity Summary

EC50 6 meas. best 7.77
IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
 EC50 7.77 7.505 17.0 6
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 5.89 5.89 1300.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 22.0 ng.hr.mL-1 Rattus norvegicus
AUC 22.0 ng.hr.mL-1 Rattus norvegicus
CL 62.0 mL.min-1.kg-1 Rattus norvegicus
CL 62.0 mL.min-1.kg-1 Rattus norvegicus
Cmax 45.03 nM Rattus norvegicus
Cmax 45.03 nM Rattus norvegicus
F 2.0 % Rattus norvegicus
F 2.0 % Rattus norvegicus
T1/2 1.5 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 4 EC50 = 17.0 nM 7.77 Agonist activity at recombinant human 5HT4e receptor expressed in African green ... 26363507
5-hydroxytryptamine receptor 4 EC50 = 17.0 nM 7.77 Agonist activity at 5-HT4E receptor (unknown origin) 29763304
5-hydroxytryptamine receptor 4 EC50 = 17.0 nM 7.77 Partial agonist activity at human recombinant 5HT4E receptor expressed in COS7 c... 34251799
5-hydroxytryptamine receptor 4 EC50 = 58.0 nM 7.24 Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP... 26363507
5-hydroxytryptamine receptor 4 EC50 = 58.0 nM 7.24 Agonist activity at recombinant human 5-HT4E receptor expressed in CHO cells ass... 29763304
5-hydroxytryptamine receptor 4 EC50 = 58.0 nM 7.24 Partial agonist activity at human 5HT4E receptor expressed in CHO cells assessed... 34251799
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 1300.0 nM 5.89 Inhibition of hERG expressed in HEK293 cells at holding potential of -80 mV by w... 34251799

Literature References

PubMed DOI Target Context # Activities
34251799 10.1021/acs.jmedchem.1c00703 ADMET 7
29763304 10.1021/acs.jmedchem.8b00457 Rattus norvegicus 5
26363507 10.1016/j.ejmech.2015.08.051 5-hydroxytryptamine receptor 4 4
29763304 10.1021/acs.jmedchem.8b00457 5-hydroxytryptamine receptor 4 4
34251799 10.1021/acs.jmedchem.1c00703 5-hydroxytryptamine receptor 4 4
29763304 10.1021/acs.jmedchem.8b00457 ADMET 3
34251799 10.1021/acs.jmedchem.1c00703 Voltage-gated inwardly rectifying potassium channel KCNH2 2

Data from ChEMBL 36 via Core Engine