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Compound Detail

CHEMBL5208907

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Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1

Basic Information

ChEMBL ID CHEMBL5208907
Phase Preclinical
Structure Type MOL
InChI Key SNGCEWRXFPWQJY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.2
MW (Da)
4.20
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12BrN5
MW 354.21
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.02

Activity Summary

IC50 3 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HCC827
CHEMBL4296422
IC50 10.52 10.52 0.0 1
Epidermal growth factor receptor
CHEMBL203
IC50 9.13 9.13 0.7 1
NCI-H1975
CHEMBL614348
IC50 5.23 5.23 5900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35259690 10.1016/j.ejmech.2022.114249 Epidermal growth factor receptor 1
35259690 10.1016/j.ejmech.2022.114249 HCC827 1
35259690 10.1016/j.ejmech.2022.114249 NCI-H1975 1

Data from ChEMBL 36 via Core Engine