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Compound Detail

CHEMBL191010

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CCOC(=O)CCc1ccc(Cn2cc(C)c(=O)[nH]c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191010
Phase Preclinical
Structure Type MOL
InChI Key VXMNBIKLGAKBQX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
1.39
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O4
MW 316.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.65

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
15801836 10.1021/jm0492296 Thymidylate kinase 1

Data from ChEMBL 36 via Core Engine