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Compound Detail

CHEMBL287431

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

Basic Information

ChEMBL ID CHEMBL287431
Phase Preclinical
Structure Type MOL
InChI Key AAHHIAHEQQAJMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.7
MW (Da)
0.05
ALogP
7
HBA
1
HBD
94.2
PSA (Ų)
0.81
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 C11H15ClN6O2
MW 298.73
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.82

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 2000.0 nM 5.7 In vitro cytotoxicity against mouse TLX5 lymphoma cells 12459014

Literature References

PubMed DOI Target Context # Activities
2329560 10.1021/jm00167a018 L1210 6
12459014 10.1021/jm020936d NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine