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Compound Detail

CHEMBL3233105

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Cc1ccccc1OCC(=O)NCCC(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233105
Phase Preclinical
Structure Type MOL
InChI Key VPJQPRVILZQESU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.20
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.78
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 C19H22N2O3
MW 326.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
24533839 10.1021/jm401709b Cruzipain 2

Data from ChEMBL 36 via Core Engine