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Compound Detail

CHEMBL99634

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Cc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99634
Phase Preclinical
Structure Type MOL
InChI Key JYCYNDRDQPPPKI-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
1.60
ALogP
6
HBA
4
HBD
107.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N5O2
MW 271.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.90

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