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Compound Detail

CHEMBL2042789

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COc1cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042789
Phase Preclinical
Structure Type MOL
InChI Key RMHICHDMNOFLSA-WSJMPXRGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.3
MW (Da)
2.20
ALogP
8
HBA
2
HBD
132.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O7
MW 385.33
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
22727447 10.1016/j.ejmech.2012.05.041 Trypanosoma cruzi 2
22727447 10.1016/j.ejmech.2012.05.041 J774 1

Data from ChEMBL 36 via Core Engine