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Compound Detail

CHEMBL4791195

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C[C@@H](Nc1ncnc2[nH]c(-c3ccc(C(N)=O)cc3)cc12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL4791195
Phase Preclinical
Structure Type MOL
InChI Key GEPQNFKJFRAQAV-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.90
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N5O
MW 357.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27614407 10.1016/j.ejmech.2016.08.068 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine