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Compound Detail

CHEMBL5203229

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Cn1cc(-c2ccc3nc(C(N)CCOCc4ccccc4)[nH]c(=O)c3c2)cn1

Basic Information

ChEMBL ID CHEMBL5203229
Phase Preclinical
Structure Type MOL
InChI Key PNNZQIZIFWBSKE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
2.93
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O2
MW 389.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.36

Activity Summary

EC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 39
CHEMBL3091266
EC50 6.19 6.19 641.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35123006 10.1016/j.bmcl.2022.128607 G-protein coupled receptor 39 3

Data from ChEMBL 36 via Core Engine