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Compound Detail

CHEMBL327494

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CCCCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL327494
Phase Preclinical
Structure Type MOL
InChI Key TWVPBQFTQBIXPG-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
3.53
ALogP
5
HBA
3
HBD
86.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N5O
MW 297.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.75

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
1323680 10.1021/jm00094a007 Thymidine kinase 2

Data from ChEMBL 36 via Core Engine