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Compound Detail

CHEMBL153338

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C#CCOC(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1

Basic Information

ChEMBL ID CHEMBL153338
Phase Preclinical
Structure Type MOL
InChI Key VQMSYRVMIFJKSO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

273.2
MW (Da)
1.53
ALogP
5
HBA
2
HBD
93.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3O4
MW 273.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 10000.0 nM 5.0 In vitro for its inhibitory activity against L1210 murine leukemia cell growth 1738146

Literature References

PubMed DOI Target Context # Activities
1738146 10.1021/jm00081a016 L1210 2
1738146 10.1021/jm00081a016 Brugia pahangi 1

Data from ChEMBL 36 via Core Engine