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Compound Detail

CHEMBL4483670

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c1cc(-c2cc(NC3COC3)c3ccncc3n2)ccn1

Basic Information

ChEMBL ID CHEMBL4483670
Phase Preclinical
Structure Type MOL
InChI Key NKZPKBDVMKOULY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
2.50
ALogP
5
HBA
1
HBD
59.9
PSA (Ų)
0.80
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 C16H14N4O
MW 278.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.70

Activity Summary

IC50 2 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
IC50 6.68 6.68 208.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine