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Compound Detail

CHEMBL373302

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N#Cc1cn(Cc2cccc(Cl)c2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373302
Phase Preclinical
Structure Type MOL
InChI Key UYEFXNGKYQXYMK-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.7
MW (Da)
1.11
ALogP
4
HBA
1
HBD
78.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8ClN3O2
MW 261.67
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.96

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