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Compound Detail

CHEMBL152905

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Nc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1

Basic Information

ChEMBL ID CHEMBL152905
Phase Preclinical
Structure Type MOL
InChI Key MEIUULSQALVLOO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
4.93
ALogP
5
HBA
2
HBD
63.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrN4S
MW 371.26
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.68

Activity Summary

IC50 2 meas. best 9.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 9.57 8.32 0.3 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10639288 10.1021/jm9903949 Epidermal growth factor receptor 2
10639288 10.1021/jm9903949 Insulin receptor 1
10639288 10.1021/jm9903949 Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine