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Compound Detail

CHEMBL5419520

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CN(c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12)[C@@H](CO)c1ccccc1

Basic Information

ChEMBL ID CHEMBL5419520
Phase Preclinical
Structure Type MOL
InChI Key BPKVTDLMFZLJIM-FQEVSTJZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.29
ALogP
5
HBA
3
HBD
85.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O2
MW 374.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.37

Activity Summary

IC50 2 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 7.19 7.19 65.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.9 6.9 127.0 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