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Compound Detail

CHEMBL3394238

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CCCc1cc2[nH]c(=O)ccc2c(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3394238
Phase Preclinical
Structure Type MOL
InChI Key GNDSCMXBXGHCIV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

202.3
MW (Da)
2.18
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.81
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 C12H14N2O
MW 202.26
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.50

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25486447 10.1021/jm5012947 Thymidylate kinase 1

Data from ChEMBL 36 via Core Engine