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

CHEMBL280582

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(N)c2nnn([C@H]3CCC[C@H]3CO)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL280582
Phase Preclinical
Structure Type MOL
InChI Key AXPTXRYJQIGLBJ-WDSKDSINSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
-0.28
ALogP
8
HBA
3
HBD
128.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H15N7O
MW 249.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.33

Activity Summary

IC50 3 meas. best 4.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.11 4.11 77200.0 1
CCRF-CEM
CHEMBL382
 IC50 4.04 4.04 90500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 77200.0 nM 4.11 Antitumor activity was evaluated against L1210 cell line 9871764
CCRF-CEM IC50 = 90500.0 nM 4.04 Antitumor activity was evaluated against CEM cell line 9871764

Literature References

PubMed DOI Target Context # Activities
9871764 10.1016/s0960-894x(98)00216-9 Human alphaherpesvirus 3 3
9871764 10.1016/s0960-894x(98)00216-9 L1210 1
9871764 10.1016/s0960-894x(98)00216-9 MOLT-4 1
9871764 10.1016/s0960-894x(98)00216-9 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine