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Compound Detail

CHEMBL3931165

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CNC(=O)CC1Oc2ccccc2-c2cc3c(c(C)c21)N(C)C(=O)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3931165
Phase Preclinical
Structure Type MOL
InChI Key ODOKAGOYCADTAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.39
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.84
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 C20H18N2O4
MW 350.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.01

Literature References

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

Data from ChEMBL 36 via Core Engine