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Compound Detail

CHEMBL5556952

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CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(CCO)cc3)cc12

Basic Information

ChEMBL ID CHEMBL5556952
Phase Preclinical
Structure Type MOL
InChI Key SCYRSMZWTVZXCL-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.02
ALogP
5
HBA
2
HBD
74.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O2
MW 366.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.60

Activity Summary

IC50 5 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 9.52 9.1867 0.3 3
BaF3
CHEMBL614524
IC50 5.82 5.41 1500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38141285 10.1016/j.ejmech.2023.116053 Macrophage colony-stimulating factor 1 receptor 3
38141285 10.1016/j.ejmech.2023.116053 BaF3 2

Data from ChEMBL 36 via Core Engine