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Compound Detail

CHEMBL3143485

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Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3143485
Phase Preclinical
Structure Type MOL
InChI Key DBCHBEREBCGAIN-RRFJBIMHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
0.01
ALogP
7
HBA
2
HBD
93.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O5
MW 332.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.27

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
7097717 10.1021/jm00348a007 Thymidine kinase 2 2
7097717 10.1021/jm00348a007 Thymidine kinase, cytosolic 2
7097717 10.1021/jm00348a007 Unchecked 1

Data from ChEMBL 36 via Core Engine