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Compound Detail

CHEMBL5563269

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CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)cc12

Basic Information

ChEMBL ID CHEMBL5563269
Phase Preclinical
Structure Type MOL
InChI Key ISSAIPRVFNYANG-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
2.14
ALogP
6
HBA
2
HBD
114.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N5O3S
MW 401.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.21

Activity Summary

IC50 4 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 9.02 0.3 2
BaF3
CHEMBL614524
IC50 5.16 5.08 6900.0 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
38141285 10.1016/j.ejmech.2023.116053 No relevant target 1

Data from ChEMBL 36 via Core Engine