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Compound Detail

CHEMBL485122

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Cc1cn(Cc2ccc(CCCC(N)=O)cc2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485122
Phase Preclinical
Structure Type MOL
InChI Key AWQCKQBMUGFFOR-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
0.70
ALogP
4
HBA
2
HBD
98.0
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 C16H19N3O3
MW 301.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.76

Activity Summary

Ki 2 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 Vero 1

Data from ChEMBL 36 via Core Engine