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Compound Detail

CHEMBL5197169

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O=C1CN=C(c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197169
Phase Preclinical
Structure Type MOL
InChI Key ZTNYPQDYAIUZNW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
3.09
ALogP
4
HBA
4
HBD
101.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H13N3O3
MW 331.33
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 0.79

Activity Summary

IC50 1 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trichophyton mentagrophytes
CHEMBL613162
 IC50 4.32 4.32 48300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trichophyton mentagrophytes IC50 = 48300.0 nM 4.32 Antifungal activity against Trichophyton mentagrophytes assessed as fungal growt... 33153766

Literature References

PubMed DOI Target Context # Activities
33153766 10.1016/j.ejmech.2020.112945 Trichophyton mentagrophytes 1

Data from ChEMBL 36 via Core Engine