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Compound Detail

CHEMBL3393938

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Nc1cccc2c(CCC(=O)O)c(C(=O)O)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393938
Phase Preclinical
Structure Type MOL
InChI Key MCTFFQDTBHUMAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
1.47
ALogP
3
HBA
4
HBD
116.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2O4
MW 248.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
25461330 10.1016/j.ejmech.2014.11.049 Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine