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Compound Detail

CHEMBL3330218

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Cc1ccc([C@@H]2C[C@H](O)Cc3ccccc3N2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330218
Phase Preclinical
Structure Type MOL
InChI Key ZDYOBDYRGGBVHQ-OCCSQVGLSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
3.05
ALogP
3
HBA
2
HBD
45.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NO2
MW 243.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.14

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25173828 10.1016/j.ejmech.2014.08.055 Trypanosoma cruzi 2
25173828 10.1016/j.ejmech.2014.08.055 Unchecked 2
25173828 10.1016/j.ejmech.2014.08.055 Leishmania infantum 2
25173828 10.1016/j.ejmech.2014.08.055 Vero 1
25173828 10.1016/j.ejmech.2014.08.055 THP-1 1

Data from ChEMBL 36 via Core Engine