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Compound Detail

CHEMBL2285988

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O=C1Nc2ccc(F)cc2/C1=N/NC(=S)Nc1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2285988
Phase Preclinical
Structure Type MOL
InChI Key IVLGOZNNPVQIBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
2.75
ALogP
3
HBA
3
HBD
65.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9F3N4OS
MW 350.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-013-0575-7 Lemna aequinoctialis 3
- 10.1007/s00044-013-0575-7 Urease 2
- 10.1007/s00044-013-0575-7 Nakaseomyces glabratus 1
- 10.1007/s00044-013-0575-7 Fusarium solani 1
- 10.1007/s00044-013-0575-7 Microsporum canis 1
- 10.1007/s00044-013-0575-7 Aspergillus flavus 1
- 10.1007/s00044-013-0575-7 Candida albicans 1
- 10.1007/s00044-013-0575-7 Trichophyton longifusum 1
- 10.1007/s00044-013-0575-7 Artemia salina 1

Data from ChEMBL 36 via Core Engine