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Compound Detail

CHEMBL1161001

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Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL1161001
Phase Preclinical
Structure Type MOL
InChI Key LZJOBHFWZYPRRA-FDDDBJFASA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

351.2
MW (Da)
-2.21
ALogP
8
HBA
5
HBD
177.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N3O8P
MW 351.25
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.07

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
12930144 10.1021/jm021108n Thymidylate kinase 1
12930144 10.1021/jm021108n Thymidine kinase, cytosolic 1
12930144 10.1021/jm021108n Unchecked 1

Data from ChEMBL 36 via Core Engine