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Compound Detail

CHEMBL363112

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COC(=O)c1ccccc1C(=O)c1cn(OC)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363112
Phase Preclinical
Structure Type MOL
InChI Key MDUYUTBBROYGJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
2.72
ALogP
5
HBA
0
HBD
57.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO4
MW 309.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
15369400 10.1021/jm049625o HeLa 1

Data from ChEMBL 36 via Core Engine