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

CHEMBL181762

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
CC(O)CNc1nc(NCc2ccccc2)c2nc(NCC(C)O)nc(NCc3ccccc3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181762
Phase Preclinical
Structure Type MOL
InChI Key WVWGRGFLLQFZMT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
3.23
ALogP
10
HBA
6
HBD
140.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N8O2
MW 488.60
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.37

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 3000.0 nM 5.52 Inhibition of [3H]thymidine uptake in L1210 cells 15369395

Literature References

PubMed DOI Target Context # Activities
15369395 10.1021/jm040772w L1210 3

Data from ChEMBL 36 via Core Engine