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Compound Detail

CHEMBL4588561

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O=c1[nH]c2ccc(C(F)(F)F)cc2cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4588561
Phase Preclinical
Structure Type MOL
InChI Key MBUHDXGPCNQUTF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

292.1
MW (Da)
3.31
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H5BrF3NO
MW 292.05
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
32292551 10.1021/acsmedchemlett.9b00566 HepG2 1
32292551 10.1021/acsmedchemlett.9b00566 Trypanosoma brucei brucei 1
32292551 10.1021/acsmedchemlett.9b00566 Leishmania infantum 1
32292551 10.1021/acsmedchemlett.9b00566 Unchecked 1

Data from ChEMBL 36 via Core Engine