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Compound Detail

CHEMBL3930050

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COC(=N)c1nc2ccc3ncnc(Nc4ccc(O)cc4)c3c2s1

Basic Information

ChEMBL ID CHEMBL3930050
Phase Preclinical
Structure Type MOL
InChI Key PZKDRDMXOUMEFU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.66
ALogP
8
HBA
3
HBD
104.0
PSA (Ų)
0.30
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 C17H13N5O2S
MW 351.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine