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Compound Detail

CHEMBL3622675

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C#Cc1cccc(Nc2ncnc3cc(OCC)c(NC(=O)/C=C/CN(C)C4CC4)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622675
Phase Preclinical
Structure Type MOL
InChI Key GULNNJGIWQDXHX-JXMROGBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
4.34
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N5O2
MW 441.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 8.62 8.62 2.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 2.4 nM 8.62 Inhibition of EGFR (unknown origin) by ELISA method 26310890

Literature References

PubMed DOI Target Context # Activities
26310890 10.1016/j.ejmech.2015.08.026 NCI-H1975 2
26310890 10.1016/j.ejmech.2015.08.026 Mus musculus 2
26310890 10.1016/j.ejmech.2015.08.026 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine