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Compound Detail

CHEMBL5267388

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CC1(C)CCc2c(sc3nc(CCO)nc(N4CCN(C(=O)c5ccco5)CC4)c23)C1

Basic Information

ChEMBL ID CHEMBL5267388
Phase Preclinical
Structure Type MOL
InChI Key SGWORYHNLSGCMZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.30
ALogP
7
HBA
1
HBD
82.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O3S
MW 440.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 4.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
IC50 4.93 4.93 11700.0 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