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Compound Detail

CHEMBL2093054

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Nc1nnc(O)c2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2093054
Phase Preclinical
Structure Type MOL
InChI Key AGGPCPMMPFBBII-ICQCTTRCSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
-1.67
ALogP
9
HBA
5
HBD
146.9
PSA (Ų)
0.44
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 C11H14N4O5
MW 282.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.95

Activity Summary

IC50 2 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
KB
CHEMBL398
 IC50 4.05 4.05 90000.0 1
L1210
CHEMBL386
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
KB IC50 = 90000.0 nM 4.05 Antiviral activity was estimated by HSV-1 ELISA method. 9057866
L1210 IC50 = 100000.0 nM 4.0 The in vitro cytotoxicity against L1210 cells was evaluated 9057866

Literature References

PubMed DOI Target Context # Activities
9057866 10.1021/jm960631x HFF 2
9057866 10.1021/jm960631x L1210 1
9057866 10.1021/jm960631x KB 1

Data from ChEMBL 36 via Core Engine