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Compound Detail

CHEMBL4161450

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COC(=O)NN1C(C)=C(C(=O)OC)C2c3ccc(OC)c(OC)c3CN3CCc4cc5c(cc4C231)OCO5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161450
Phase Preclinical
Structure Type MOL
InChI Key UJFSOIKLGOJYDB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

523.5
MW (Da)
2.77
ALogP
10
HBA
1
HBD
108.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N3O8
MW 523.54
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.44

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30196978 10.1016/j.bmc.2018.08.038 NCTC-2544 3
30196978 10.1016/j.bmc.2018.08.038 No relevant target 1
30196978 10.1016/j.bmc.2018.08.038 DNA 1

Data from ChEMBL 36 via Core Engine