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Compound Detail

CHEMBL478124

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CCC(C)Sc1nnc(C(C)Sc2nc3nc(C)cc(C)n3n2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478124
Phase Preclinical
Structure Type MOL
InChI Key SUPYXWBRLQZAPQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
3.87
ALogP
9
HBA
0
HBD
82.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N6OS2
MW 364.50
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.49

Activity Summary

EC50 1 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rhizoctonia solani
CHEMBL613272
 EC50 5.03 5.03 9332.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rhizoctonia solani EC50 = 9332.54 nM 5.03 Antifungal activity against Rhizoctonia solani assessed as inhibition of mycelia... 17618711

Literature References

PubMed DOI Target Context # Activities
17618711 10.1016/j.ejmech.2007.04.021 Rhizoctonia solani 2

Data from ChEMBL 36 via Core Engine