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Compound Detail

CHEMBL3914148

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O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(-c4ccncc4)nc23)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3914148
Phase Preclinical
Structure Type MOL
InChI Key ARRCWYFVFAYVOG-AUWJEWJLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
1.55
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N7O2
MW 361.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 7.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II subunit beta
CHEMBL2358
 IC50 7.31 7.31 48.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Casein kinase II subunit beta IC50 = 48.7 nM 7.31 Inhibition Assay: 5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) ... -

Data from ChEMBL 36 via Core Engine