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Compound Detail

CHEMBL3906476

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COC(=O)CC1Oc2ccccc2-c2cc3c(cc21)N(C)C(=O)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3906476
Phase Preclinical
Structure Type MOL
InChI Key NPYSYEGTVJQPQC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
2.51
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.62
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 C19H15NO5
MW 337.33
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.44

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27487567 10.1016/j.ejmech.2016.07.044 Unchecked 1

Data from ChEMBL 36 via Core Engine