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Compound Detail

CHEMBL4547753

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O=c1ccc2cc(C(F)(F)F)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4547753
Phase Preclinical
Structure Type MOL
InChI Key CPOPNSYBDVMTGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
2.55
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.72
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 C10H6F3NO
MW 213.16
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.06

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