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Compound Detail

CHEMBL1738722

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Cc1nc(N)nc(N)n1

Basic Information

ChEMBL ID CHEMBL1738722
Phase Preclinical
Structure Type MOL
InChI Key NJYZCEFQAIUHSD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

125.1
MW (Da)
-0.66
ALogP
5
HBA
2
HBD
90.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H7N5
MW 125.14
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -1.07

Activity Summary

Kd 1 meas. best 3.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA
CHEMBL2311222
Kd 3.96 3.96 110000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA Kd = 110000.0 nM 3.96 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