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Compound Detail

CHEMBL1835275

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CCOP(=O)(NCC(C)C)Oc1cc(C)ccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1835275
Phase Preclinical
Structure Type MOL
InChI Key CBXFYWHXFBFECS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
3.67
ALogP
5
HBA
1
HBD
90.7
PSA (Ų)
0.45
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 C13H21N2O5P
MW 316.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
21889338 10.1016/j.bmcl.2011.07.088 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine