Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL284302

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1nc(O)cc(-c2ccc(NC(=O)c3ncn4c(=O)n(CCCl)nnc34)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284302
Phase Preclinical
Structure Type MOL
InChI Key AHKAPELWOPZKCD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.8
MW (Da)
0.52
ALogP
11
HBA
3
HBD
166.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClN9O3
MW 427.81
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TLX-5
CHEMBL615015
 IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TLX-5 IC50 = 25000.0 nM 4.6 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