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Compound Detail

CHEMBL5278819

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Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2cc(-c3ccccc3)sc2n1

Basic Information

ChEMBL ID CHEMBL5278819
Phase Preclinical
Structure Type MOL
InChI Key XBQZZRZLTNMJRT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
4.22
ALogP
6
HBA
0
HBD
62.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O2S
MW 404.50
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.01

Activity Summary

IC50 1 meas. best 5.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
IC50 5.67 5.67 2140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36655130 10.1021/acsmedchemlett.2c00325 G-protein coupled receptor 55 1

Data from ChEMBL 36 via Core Engine