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Compound Detail

CHEMBL172574

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Nc1ncnc2c1c(-c1ccc(O)cc1)cn2[C@@H]1CN[C@@H](CO)C1

Basic Information

ChEMBL ID CHEMBL172574
Phase Preclinical
Structure Type MOL
InChI Key SKYAUASQUBDEOI-NEPJUHHUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
1.28
ALogP
7
HBA
4
HBD
109.2
PSA (Ų)
0.58
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 C17H19N5O2
MW 325.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.50

Activity Summary

IC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 7.02 7.02 95.0 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