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Compound Detail

CHEMBL5430348

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Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(CCCCC(=O)O)cc4)cc23)c1

Basic Information

ChEMBL ID CHEMBL5430348
Phase Preclinical
Structure Type MOL
InChI Key JOKPFQGWKKRGJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
5.37
ALogP
4
HBA
2
HBD
82.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O2
MW 428.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 9.4 9.4 0.4 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 4
37191268 10.1021/acs.jmedchem.3c00428 Epidermal growth factor receptor 1
37191268 10.1021/acs.jmedchem.3c00428 BaF3 1
37191268 10.1021/acs.jmedchem.3c00428 ADMET 1

Data from ChEMBL 36 via Core Engine