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Compound Detail

CHEMBL5396456

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Basic Information

ChEMBL ID CHEMBL5396456
Phase Preclinical
Structure Type MOL
InChI Key CFVNVCUJPRPMCN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

179.0
MW (Da)
1.49
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C3H3BrN2S
MW 179.04
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -0.67

Activity Summary

Kd 1 meas. best 3.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA
CHEMBL2311222
Kd 3.19 3.19 650000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA Kd = 650000.0 nM 3.19 Binding affinity to RNA (unknown origin) by fluorescence based analysis 37186875

Literature References

PubMed DOI Target Context # Activities
37186875 10.1021/acs.jmedchem.3c00034 RNA 1

Data from ChEMBL 36 via Core Engine