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Compound Detail

CHEMBL135567

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Cc1cn(C=C=CCO)c(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL135567
Phase Preclinical
Structure Type MOL
InChI Key YBCVWATXZPOZBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
-0.54
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N2O3
MW 194.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.16

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 100000.0 nM 4.0 Inhibitory activity against murine leukemia L1210 cells 1992143

Literature References

PubMed DOI Target Context # Activities
1992143 10.1021/jm00105a064 L1210 1

Data from ChEMBL 36 via Core Engine