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Compound Detail

CHEMBL4210453

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COC(=O)c1ccc(OCCCCCCCCCCCCCBr)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4210453
Phase Preclinical
Structure Type MOL
InChI Key UIEPPXQGIHSKPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
6.68
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32BrFO3
MW 431.39
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
30258542 10.1021/acsmedchemlett.8b00282 Trypanosoma brucei brucei 2

Data from ChEMBL 36 via Core Engine