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Compound Detail

CHEMBL5406229

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CN(CC1CCCO1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12

Basic Information

ChEMBL ID CHEMBL5406229
Phase Preclinical
Structure Type MOL
InChI Key LRUNHIZEPNWUJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.13
ALogP
6
HBA
2
HBD
87.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N5O2
MW 339.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.59 8.59 2.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37141705 10.1016/j.ejmech.2023.115344 Macrophage colony-stimulating factor 1 receptor 2
37141705 10.1016/j.ejmech.2023.115344 No relevant target 1
37141705 10.1016/j.ejmech.2023.115344 ADMET 1

Data from ChEMBL 36 via Core Engine