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Compound Detail

CHEMBL443219

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Nc1ccn(C/C=C\CCl)c(=O)n1

Basic Information

ChEMBL ID CHEMBL443219
Phase Preclinical
Structure Type MOL
InChI Key NZLSHCSJFKMBAO-UPHRSURJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

199.6
MW (Da)
0.62
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.57
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 C8H10ClN3O
MW 199.64
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.24

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 Inhibitory activity against murine leukemia L1210 cells 1992143

Literature References

PubMed DOI Target Context # Activities
1992143 10.1021/jm00105a064 L1210 8
1992143 10.1021/jm00105a064 NON-PROTEIN TARGET 2
1992143 10.1021/jm00105a064 Homo sapiens 1

Data from ChEMBL 36 via Core Engine