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Compound Detail

CHEMBL3954187

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OCC(O)C(O)C(O)c1cncc(-c2ccco2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3954187
Phase Preclinical
Structure Type MOL
InChI Key ICLRLTSTDCESGQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
-0.52
ALogP
7
HBA
4
HBD
119.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2O5
MW 266.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
27913179 10.1016/j.bmcl.2016.11.063 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine