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Compound Detail

CHEMBL341413

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O=C(NO)N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341413
Phase Preclinical
Structure Type MOL
InChI Key BZDMXHKZYDDQEV-LZWSPWQCSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.1
MW (Da)
2.12
ALogP
5
HBA
3
HBD
103.9
PSA (Ų)
0.45
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 C11H7Cl2N3O4
MW 316.10
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.04

Activity Summary

IC50 2 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.55 4.55 28200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 28200.0 nM 4.55 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