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Compound Detail

CHEMBL3120219

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OCCN(CCO)Cc1c(O)ccc2oc(Cc3ccccc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3120219
Phase Preclinical
Structure Type MOL
InChI Key CCMQHGGONWWALH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.52
ALogP
5
HBA
3
HBD
77.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO4
MW 341.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
24445311 10.1016/j.ejmech.2013.12.020 SQ20B 1

Data from ChEMBL 36 via Core Engine