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Compound Detail

CHEMBL278384

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COC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL278384
Phase Preclinical
Structure Type MOL
InChI Key XPQUXNYKZKQDIQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
5.31
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O2
MW 343.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 60.0 nM 7.22 Inhibitory concentration to reduce the growth of L1210 cells by 50% after 70 hr.... 3820217

Literature References

PubMed DOI Target Context # Activities
7205885 10.1021/jm00134a009 Nucleic Acid 2
7205885 10.1021/jm00134a009 Mus musculus 2
7143362 10.1021/jm00352a027 P388 2
3820217 10.1021/jm00386a006 L1210 2
7205885 10.1021/jm00134a009 No relevant target 1
7205885 10.1021/jm00134a009 Calf thymus DNA 1
7143362 10.1021/jm00352a027 Nucleic Acid 1
7143362 10.1021/jm00352a027 L1210 1
7069706 10.1021/jm00345a015 L1210 1
7069706 10.1021/jm00345a015 Mus sp. 1
7069706 10.1021/jm00345a015 No relevant target 1

Data from ChEMBL 36 via Core Engine