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Compound Detail

CHEMBL4448628

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CC(C)(C)Nc1nc(-c2nonc2N)nc2cnccc12

Basic Information

ChEMBL ID CHEMBL4448628
Phase Preclinical
Structure Type MOL
InChI Key ZPTLTQXUNFJSNB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
1.87
ALogP
8
HBA
2
HBD
115.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N7O
MW 285.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.40

Activity Summary

IC50 2 meas. best 7.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
IC50 7.98 7.98 10.4 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine