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Compound Detail

CHEMBL2203536

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O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccccn1

Basic Information

ChEMBL ID CHEMBL2203536
Phase Preclinical
Structure Type MOL
InChI Key QUKFWKFKTLOOTK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.60
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.60
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 C20H16N4O
MW 328.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.36

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase 33
CHEMBL6005
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23256033 10.1021/ml300246r Unchecked 1
23256033 10.1021/ml300246r Serine/threonine-protein kinase 33 1

Data from ChEMBL 36 via Core Engine