Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4741922

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H](Nc1ncnc2[nH]c(-c3ccncc3)cc12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL4741922
Phase Preclinical
Structure Type MOL
InChI Key PIKQXZXKAHGTFO-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
4.19
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5
MW 315.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 9.22 9.22 0.6 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