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Compound Detail

CHEMBL37046

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NC(=O)c1ccccc1NC(=O)c1ncn2c(=O)n(CCCl)nnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL37046
Phase Preclinical
Structure Type MOL
InChI Key IMANUPNUBIQWJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.8
MW (Da)
-0.12
ALogP
8
HBA
2
HBD
137.3
PSA (Ų)
0.61
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 C14H12ClN7O3
MW 361.75
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TLX-5
CHEMBL615015
 IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TLX-5 IC50 = 13000.0 nM 4.89 In vitro cytotoxicity against mouse TLX5 lymphoma cells 7739008

Literature References

PubMed DOI Target Context # Activities
7739008 10.1021/jm00009a010 TLX-5 1

Data from ChEMBL 36 via Core Engine