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Compound Detail

CHEMBL4848642

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NC(=O)c1cn(CCc2ccc(O)cc2)c(=O)c2c(O)ccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4848642
Phase Preclinical
Structure Type MOL
InChI Key WOMHJAZCGMOEAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.3
MW (Da)
1.46
ALogP
6
HBA
4
HBD
125.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O5
MW 340.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
33822610 10.1021/acs.jnatprod.1c00055 BV-2 1

Data from ChEMBL 36 via Core Engine