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Compound Detail

CHEMBL2403403

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COc1ccc([N+](=O)[O-])cc1COc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1OCc1cc([N+](=O)[O-])ccc1OC

Basic Information

ChEMBL ID CHEMBL2403403
Phase Preclinical
Structure Type MOL
InChI Key MAXUMDMRSGHAGX-DHSDPZMFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

933.1
MW (Da)
12.64
ALogP
12
HBA
1
HBD
194.6
PSA (Ų)
0.03
QED
3
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H64N2O12
MW 933.11
Aromatic Rings 3
Heavy Atoms 68
NP-Likeness 1.07

Literature References

PubMed DOI Target Context # Activities
23727538 10.1016/j.ejmech.2013.04.066 Trypanosoma brucei brucei 3
23727538 10.1016/j.ejmech.2013.04.066 Plasmodium falciparum 3
23727538 10.1016/j.ejmech.2013.04.066 Leishmania donovani 1

Data from ChEMBL 36 via Core Engine