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

CHEMBL608886

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=C/C1=CN2C(=O)c3cc(OC4O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]4O)c(O)c(OC)c3N=C[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608886
Phase Preclinical
Structure Type MOL
InChI Key VYTYUHMTSSFEET-BVWMMHKKSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

512.4
MW (Da)
0.73
ALogP
10
HBA
5
HBD
187.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N2O11P
MW 512.41
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 1.94

Activity Summary

IC50 3 meas. best 10.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 IC50 10.77 10.77 0.0 1
L1210
CHEMBL386
 IC50 8.54 8.54 2.9 1
CH1
CHEMBL614455
 IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 0.017 nM 10.77 Tested for cytotoxicity against ADJ/PC6 mouse plasmacytoma 10354403
L1210 IC50 = 2.9 nM 8.54 Tested for cytotoxicity against L1210 mouse Leukemia cell 10354403
CH1 IC50 = 40.0 nM 7.4 Tested for cytotoxicity against CH1 human ovarian cells 10354403

Literature References

PubMed DOI Target Context # Activities
10354403 10.1021/jm981117p Calf thymus DNA 3
10354403 10.1021/jm981117p L1210 1
10354403 10.1021/jm981117p ADMET 1
10354403 10.1021/jm981117p CH1 1

Data from ChEMBL 36 via Core Engine