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Compound Detail

CHEMBL170726

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CCOC(=O)C[C@H]1C[C@H](n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)CN1

Basic Information

ChEMBL ID CHEMBL170726
Phase Preclinical
Structure Type MOL
InChI Key SFUOPNLOTSTSRR-KGLIPLIRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
2.24
ALogP
8
HBA
3
HBD
115.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O3
MW 381.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.18

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 7.0 7.0 100.0 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