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Compound Detail

CHEMBL352652

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COc1ccc(-c2cn(C3CCNC3)c3ncnc(N)c23)cc1

Basic Information

ChEMBL ID CHEMBL352652
Phase Preclinical
Structure Type MOL
InChI Key WDYVDTYEQJWMHJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.22
ALogP
6
HBA
2
HBD
78.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N5O
MW 309.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11277536 10.1016/s0960-894x(01)00080-4 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine