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Compound Detail

CHEMBL75208

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Cc1[nH]c2ncnc(Nc3cccc(C#N)c3)c2c1C

Basic Information

ChEMBL ID CHEMBL75208
Phase Preclinical
Structure Type MOL
InChI Key MPFUPSNMAKEAKB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
3.19
ALogP
4
HBA
2
HBD
77.4
PSA (Ų)
0.74
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 C15H13N5
MW 263.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 200.0 nM 6.7 In vitro inhibitory activity against epidermal growth factor receptor 8691423

Literature References

PubMed DOI Target Context # Activities
8691423 10.1021/jm960118j Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine