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Compound Detail

CHEMBL5403510

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C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CO)cc3)cc12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL5403510
Phase Preclinical
Structure Type MOL
InChI Key JFFNMSINEFWPKX-CQSZACIVSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
4.29
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O
MW 344.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.64

Activity Summary

IC50 3 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 9.52 9.52 0.3 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.94 7.93 11.6 2

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 1
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