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Compound Detail

CHEMBL272187

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Brc1cccc(Nc2ncnc3ccncc23)c1NCCc1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL272187
Phase Preclinical
Structure Type MOL
InChI Key FVIJIMMDRHCHRE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.3
MW (Da)
3.91
ALogP
6
HBA
3
HBD
91.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16BrN7
MW 410.28
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 9.04 9.04 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 0.912 nM 9.04 Inhibition of EGFR 18271520

Literature References

PubMed DOI Target Context # Activities
18271520 10.1021/jm070654j Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine