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

CHEMBL608634

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
C[C@]1(O)C(n2ccc(=O)c3c(N)ncnc32)O[C@H](CO)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608634
Phase Preclinical
Structure Type MOL
InChI Key RMZSYMXAGASGPU-ZFHOVDRXSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
-1.62
ALogP
9
HBA
4
HBD
143.7
PSA (Ų)
0.52
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 C13H16N4O5
MW 308.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.22

Activity Summary

EC50 2 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.33 4.33 46700.0 1
B16
CHEMBL381
 EC50 4.07 4.07 85500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 46700.0 nM 4.33 Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in human prosta... 11020285
B16 EC50 = 85500.0 nM 4.07 Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in B16 mouse me... 11020285

Literature References

PubMed DOI Target Context # Activities
11020285 10.1021/jm000073t NON-PROTEIN TARGET 2
11020285 10.1021/jm000073t B16 1

Data from ChEMBL 36 via Core Engine