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Compound Detail

CHEMBL5403478

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CN(Cc1ccccn1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12

Basic Information

ChEMBL ID CHEMBL5403478
Phase Preclinical
Structure Type MOL
InChI Key QSGXWUVUDCSFIZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.15
ALogP
5
HBA
2
HBD
77.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5O
MW 345.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.07

Activity Summary

IC50 2 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.96 8.96 1.1 1
Epidermal growth factor receptor
CHEMBL203
IC50 6.88 6.88 133.0 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