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Compound Detail

CHEMBL3143941

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CCCCc1ccc(NC2=NC(=O)C3N=CN([C@H]4C[C@H](O)[C@@H](COP(=O)(O)O)O4)C3=N2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3143941
Phase Preclinical
Structure Type MOL
InChI Key VDQISVOQJXDUPG-MYAYHUAGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.4
MW (Da)
1.03
ALogP
9
HBA
4
HBD
165.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N5O7P
MW 479.43
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 0.52

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2840499 10.1021/jm00403a004 Thymidine kinase 1

Data from ChEMBL 36 via Core Engine