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Compound Detail

CHEMBL118762

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O=C1C(=O)N(C(=O)OCc2ccccc2)c2ccc(F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118762
Phase Preclinical
Structure Type MOL
InChI Key LQAQNZBRQVCETM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
2.69
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10FNO4
MW 299.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
14505663 10.1016/s0960-894x(03)00756-x Cruzipain 1
14505663 10.1016/s0960-894x(03)00756-x Falcipain 2 1
14505663 10.1016/s0960-894x(03)00756-x Rhodesain 1

Data from ChEMBL 36 via Core Engine