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Compound Detail

CHEMBL5422465

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CN(C)CCNCc1cc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)ccc1F

Basic Information

ChEMBL ID CHEMBL5422465
Phase Preclinical
Structure Type MOL
InChI Key HAEUZCCQUNTMLI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
4.05
ALogP
5
HBA
2
HBD
60.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29FN6
MW 432.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.35

Activity Summary

IC50 2 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 9.1 9.1 0.8 1
Epidermal growth factor receptor
CHEMBL203
IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37191268 10.1021/acs.jmedchem.3c00428 Macrophage colony-stimulating factor 1 receptor 1
37191268 10.1021/acs.jmedchem.3c00428 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine