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Compound Detail

CHEMBL5404033

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Cc1cccc(CN(C)c2ncnc3[nH]c(-c4cccc(C(=O)O)c4)cc23)c1

Basic Information

ChEMBL ID CHEMBL5404033
Phase Preclinical
Structure Type MOL
InChI Key OGRZTQUEBSXDJP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
4.27
ALogP
4
HBA
2
HBD
82.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O2
MW 372.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.08

Activity Summary

IC50 3 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 9.22 8.685 0.6 2
Epidermal growth factor receptor
CHEMBL203
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 3
37191268 10.1021/acs.jmedchem.3c00428 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine