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Compound Detail

CHEMBL604419

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Cc1cn(C2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)OC[C@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604419
Phase Preclinical
Structure Type MOL
InChI Key ZVGJACFKGYBCDK-UWYYGDJSSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

729.4
MW (Da)
-1.99
ALogP
19
HBA
8
HBD
343.2
PSA (Ų)
0.09
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N7O16P3
MW 729.43
Aromatic Rings 3
Heavy Atoms 47
NP-Likeness 0.84

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
2838631 10.1021/jm00402a008 NON-PROTEIN TARGET 2
2838631 10.1021/jm00402a008 Thymidylate kinase 1

Data from ChEMBL 36 via Core Engine