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Compound Detail

CHEMBL4521356

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COC(=O)Cn1c2cc(OC)ccc2c2ccnc(C)c21

Basic Information

ChEMBL ID CHEMBL4521356
Phase Preclinical
Structure Type MOL
InChI Key RDBHSCKYWGGFIE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.68
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O3
MW 284.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 7.19 7.19 64.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32003560 10.1021/acs.jmedchem.9b01379 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 3

Data from ChEMBL 36 via Core Engine