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Compound Detail

CHEMBL5189548

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O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc(Br)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189548
Phase Preclinical
Structure Type MOL
InChI Key OVAHZWIZZXEUFD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.2
MW (Da)
4.84
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11BrN2O2
MW 367.20
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.19

Activity Summary

EC50 1 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sclerotinia sclerotiorum
CHEMBL613280
 EC50 5.27 5.27 5380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sclerotinia sclerotiorum EC50 = 5380.0 nM 5.27 Antifungal activity against Sclerotinia sclerotiorum 34954591

Literature References

PubMed DOI Target Context # Activities
34954591 10.1016/j.ejmech.2021.114057 Sclerotinia sclerotiorum 1

Data from ChEMBL 36 via Core Engine