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Compound Detail

CHEMBL1240959

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CCCc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1240959
Phase Preclinical
Structure Type MOL
InChI Key ZCMLKMGXHLHWIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
4.05
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.66
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 C15H15NO4
MW 273.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
20698542 10.1021/jm9017724 HFF 2
20698542 10.1021/jm9017724 Toxoplasma gondii 2
20698542 10.1021/jm9017724 Enoyl-acyl carrier reductase 1

Data from ChEMBL 36 via Core Engine