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

CHEMBL3144269

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
Cn1cnn2c(=O)c3ncn([C@@H]4O[C@H](COP(C)(=O)O)[C@@H](OP(C)(=O)O)[C@H]4O)c3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144269
Phase Preclinical
Structure Type MOL
InChI Key TYTFDICJAZCVJR-QYVSTXNMSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

478.3
MW (Da)
-0.93
ALogP
13
HBA
3
HBD
192.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N6O9P2
MW 478.30
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.31

Activity Summary

IC50 2 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MRC5
CHEMBL614181
 IC50 6.37 6.37 430.0 1
CEM-SS
CHEMBL614548
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MRC5 IC50 = 430.0 nM 6.37 Inhibitory concentration for anti-HCMV activity against AD-169 strain in MRC-5 c... 9836613
CEM-SS IC50 = 1000.0 nM 6.0 Inhibitory concentration for anti-HIV activity against HIV-IIIB in CEM-SS cells 9836613

Literature References

PubMed DOI Target Context # Activities
9836613 10.1021/jm9802057 CEM-SS 2
9836613 10.1021/jm9802057 ADMET 2
9836613 10.1021/jm9802057 MRC5 2

Data from ChEMBL 36 via Core Engine