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Compound Detail

CHEMBL154982

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COC(=O)C(C)NC(=O)c1ncn2c(=O)n(CCCl)nnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154982
Phase Preclinical
Structure Type MOL
InChI Key AQWCPQSIBDLEBM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.7
MW (Da)
-1.18
ALogP
9
HBA
1
HBD
120.5
PSA (Ų)
0.54
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 C11H13ClN6O4
MW 328.72
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 1500.0 nM 5.82 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