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Compound Detail

CHEMBL1914666

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Br.CC(Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL1914666
Phase Preclinical
Structure Type MOL
InChI Key CLOYTEHRHQRWHY-UHFFFAOYSA-N
Parent Compound CHEMBL1963326
Active Moiety CHEMBL1963326
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
5.66
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21BrN4O
MW 461.36
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 6.0 6.0 1008.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 1008.0 nM 6.0 Inhibition of EGFR by Z-LYTE assay 22018877

Literature References

PubMed DOI Target Context # Activities
22018877 10.1016/j.ejmech.2011.10.012 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine