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Compound Detail

CHEMBL5407395

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CN(CC1CCCC1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407395
Phase Preclinical
Structure Type MOL
InChI Key RFFRQJPCXJLRPS-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.14
ALogP
5
HBA
2
HBD
77.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N5O
MW 337.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.71

Activity Summary

IC50 2 meas. best 9.3
Kd 2 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 9.3 9.3 0.5 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 Kd 7.77 7.215 17.0 2
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
 IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 0.5 nM 9.3 Inhibition of CSF1R (unknown origin) using FRET-peptide as substrate incubated i... 37141705
Macrophage colony-stimulating factor 1 receptor Kd = 17.0 nM 7.77 Binding affinity to autoinhibited form of CSF1R (unknown origin) assessed as dis... 37141705
Macrophage colony-stimulating factor 1 receptor IC50 = 40.0 nM 7.4 Inhibition of CSF1-induced CSF1R signalling in mouse BMDM cells assessed as redu... 37141705
Macrophage colony-stimulating factor 1 receptor Kd = 220.0 nM 6.66 Binding affinity to non-autoinhibited form of CSF1R (unknown origin) assessed as... 37141705

Literature References

PubMed DOI Target Context # Activities
37141705 10.1016/j.ejmech.2023.115344 Macrophage colony-stimulating factor 1 receptor 5
37141705 10.1016/j.ejmech.2023.115344 Receptor-type tyrosine-protein kinase FLT3 2
37141705 10.1016/j.ejmech.2023.115344 ADMET 2
37141705 10.1016/j.ejmech.2023.115344 Mast/stem cell growth factor receptor Kit 1
37141705 10.1016/j.ejmech.2023.115344 Platelet-derived growth factor receptor alpha 1
37141705 10.1016/j.ejmech.2023.115344 Platelet-derived growth factor receptor beta 1
37141705 10.1016/j.ejmech.2023.115344 Tyrosine-protein kinase ABL1 1
37141705 10.1016/j.ejmech.2023.115344 Ephrin type-B receptor 6 1
37141705 10.1016/j.ejmech.2023.115344 No relevant target 1

Data from ChEMBL 36 via Core Engine