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Compound Detail

CHEMBL422565

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CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)C1

Basic Information

ChEMBL ID CHEMBL422565
Phase Preclinical
Structure Type MOL
InChI Key ZXAJVNQEBDPRSU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.57
ALogP
7
HBA
2
HBD
106.5
PSA (Ų)
0.69
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 C21H25N5O3
MW 395.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.58

Activity Summary

IC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 8.1 8.1 8.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 6.4 6.4 400.0 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 2

Data from ChEMBL 36 via Core Engine