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Compound Detail

CHEMBL153358

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COC(=O)C(O)NC(=O)c1ncn2c(=O)n(CCCl)nnc12

Basic Information

ChEMBL ID CHEMBL153358
Phase Preclinical
Structure Type MOL
InChI Key UXYBKJCYUDXAIG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.7
MW (Da)
-2.25
ALogP
10
HBA
2
HBD
140.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11ClN6O5
MW 330.69
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 5000.0 nM 5.3 In vitro cytotoxicity against mouse TLX5 lymphoma cells 12459014

Literature References

PubMed DOI Target Context # Activities
12459014 10.1021/jm020936d NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine