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Compound Detail

CHEMBL134165

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CC(C)c1ccc2occ(/C=N/NC(=O)NO)c(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134165
Phase Preclinical
Structure Type MOL
InChI Key NVHGWZYXKYGIPR-GIDUJCDVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
1.94
ALogP
5
HBA
3
HBD
103.9
PSA (Ų)
0.46
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 C14H15N3O4
MW 289.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.69

Activity Summary

IC50 2 meas. best 4.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.49 4.49 32200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 32200.0 nM 4.49 Activity against lymphocytic murine leukemia cell line L1210 using MTS/PES micro... 11784145

Literature References

PubMed DOI Target Context # Activities
11784145 10.1021/jm010252q No relevant target 2
11784145 10.1021/jm010252q L1210 1
14521406 10.1021/jm030016a L1210 1

Data from ChEMBL 36 via Core Engine