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Compound Detail

CHEMBL375922

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O=C1Nc2ccc(F)cc2/C1=N/NC(=S)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL375922
Phase Preclinical
Structure Type MOL
InChI Key PSZMDLFBUVBNPL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
2.47
ALogP
3
HBA
3
HBD
65.5
PSA (Ų)
0.59
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 C15H11FN4OS
MW 314.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-013-0575-7 Lemna aequinoctialis 3
- 10.1007/s00044-013-0575-7 Urease 2
17561405 10.1016/j.bmc.2007.05.063 Mycobacterium tuberculosis 1
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 1 1
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 2 1
21356589 10.1016/j.bmcl.2011.02.037 RD 1
- 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