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Compound Detail

CHEMBL185932

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CC1(C)COC(c2ccc3nc(N)ccc3c2)OC1

Basic Information

ChEMBL ID CHEMBL185932
Phase Preclinical
Structure Type MOL
InChI Key YTTUGTKDPVBCDZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.89
ALogP
4
HBA
1
HBD
57.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O2
MW 258.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.26

Activity Summary

Kd 1 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase TEC
CHEMBL5025
Kd 4.66 4.66 22000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15481978 10.1021/jm049533z Tyrosine-protein kinase TEC 1

Data from ChEMBL 36 via Core Engine