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Compound Detail

CHEMBL274715

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CCOC(=O)[C@@H]1O[C@H]1[C@@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274715
Phase Preclinical
Structure Type MOL
InChI Key ZWLZJOYNAXGDPL-MYHRABSESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

560.6
MW (Da)
3.33
ALogP
7
HBA
3
HBD
126.5
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36N2O7
MW 560.65
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
17977725 10.1016/j.bmcl.2007.10.056 Cruzipain 2
17977725 10.1016/j.bmcl.2007.10.056 Rhodesain 2
17977725 10.1016/j.bmcl.2007.10.056 Unchecked 2
17977725 10.1016/j.bmcl.2007.10.056 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine