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Compound Detail

CHEMBL503907

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O=C(O)CCCc1ccc(Cn2ccc(=O)[nH]c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL503907
Phase Preclinical
Structure Type MOL
InChI Key VVWRHEDGSKWKGM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
0.99
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.83
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 C15H16N2O4
MW 288.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.38

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18467107 10.1016/j.bmc.2008.04.045 Thymidylate kinase 1
18467107 10.1016/j.bmc.2008.04.045 Mycobacterium tuberculosis 1
18467107 10.1016/j.bmc.2008.04.045 Vero 1

Data from ChEMBL 36 via Core Engine