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Compound Detail

CHEMBL2311177

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Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2311177
Phase Preclinical
Structure Type MOL
InChI Key NJQONZSFUKNYOY-JAGXHNFQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.2
MW (Da)
-2.14
ALogP
9
HBA
5
HBD
177.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H16N3O8P
MW 337.23
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.29

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
7328576 10.1021/jm00142a008 Thymidylate synthase 1

Data from ChEMBL 36 via Core Engine