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Compound Detail

CHEMBL2165517

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O=C(NCCCC(NC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F)OCc1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2165517
Phase Preclinical
Structure Type MOL
InChI Key YHENFYACUSZRQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

540.4
MW (Da)
3.52
ALogP
9
HBA
3
HBD
200.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22F2N4O10
MW 540.43
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
23031595 10.1016/j.bmcl.2012.09.005 Trypanosoma brucei 1
23031595 10.1016/j.bmcl.2012.09.005 Unchecked 1

Data from ChEMBL 36 via Core Engine