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Compound Detail

CHEMBL159269

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CN(C)CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL159269
Phase Preclinical
Structure Type MOL
InChI Key ZAGSATOZMNXKMU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
1.75
ALogP
4
HBA
1
HBD
66.5
PSA (Ų)
0.79
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 C19H18N2O3
MW 322.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 5.38 5.38 4200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 4200.0 nM 5.38 Concentration required to inhibit growth of murine leukemia (L1210) cells in cul... 3351846

Literature References

PubMed DOI Target Context # Activities
3351846 10.1021/jm00399a003 Calf thymus DNA 2
3351846 10.1021/jm00399a003 P388 2
3351846 10.1021/jm00399a003 L1210 1

Data from ChEMBL 36 via Core Engine