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Compound Detail

CHEMBL339192

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NC1=NC(Cl)c2c(ncn2C/C=C/CCl)N1

Basic Information

ChEMBL ID CHEMBL339192
Phase Preclinical
Structure Type MOL
InChI Key GOHDBTRNYPMQSC-OWOJBTEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

260.1
MW (Da)
1.66
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.49
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 C9H11Cl2N5
MW 260.13
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.01

Activity Summary

IC50 1 meas. best 4.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
IC50 4.41 4.41 39000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 39000.0 nM 4.41 Inhibitory activity against murine leukemia L1210 cells 1992143

Literature References

PubMed DOI Target Context # Activities
1992143 10.1021/jm00105a064 L1210 2
1992143 10.1021/jm00105a064 MC-38 1
1992143 10.1021/jm00105a064 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine