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Compound Detail

CHEMBL1644663

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COc1cc(OC(C)=O)cc2c1N(Cc1ccccc1)C(C)(C)C=C2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1644663
Phase Preclinical
Structure Type MOL
InChI Key UYJNIEUUDZODCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
4.82
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO3
MW 351.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
21112788 10.1016/j.bmc.2010.11.003 Trypanosoma brucei rhodesiense 1
21112788 10.1016/j.bmc.2010.11.003 Trypanosoma brucei 1
21112788 10.1016/j.bmc.2010.11.003 L6 1

Data from ChEMBL 36 via Core Engine