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Compound Detail

CHEMBL6050303

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O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12

Basic Information

ChEMBL ID CHEMBL6050303
Phase Preclinical
Structure Type MOL
InChI Key VCNIUYPAMGFBLR-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.26
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6O
MW 412.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.71

Activity Summary

EC50 1 meas. best 9.0
IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 9.0 9.0 1.0 1
Proto-oncogene Wnt-1
CHEMBL1255129
IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine