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Compound Detail

CHEMBL1160597

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Cc1cn([C@H]2C[C@H](N)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1160597
Phase Preclinical
Structure Type MOL
InChI Key BQZMHQZNZNBJNF-XLPZGREQSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

321.2
MW (Da)
-1.43
ALogP
7
HBA
4
HBD
156.9
PSA (Ų)
0.49
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 C10H16N3O7P
MW 321.23
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.88

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
12941330 10.1016/s0960-894x(03)00643-7 Thymidylate kinase 1
12930144 10.1021/jm021108n Thymidylate kinase 1
12930144 10.1021/jm021108n Thymidine kinase, cytosolic 1
12930144 10.1021/jm021108n Unchecked 1
12217356 10.1016/s0960-894x(02)00551-6 Thymidylate kinase 1

Data from ChEMBL 36 via Core Engine