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Compound Detail

CHEMBL414948

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL414948
Phase Preclinical
Structure Type MOL
InChI Key SIIZPVYVXNXXQG-UQTMIEBXSA-N
3
Targets
11
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

1005.6
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N15O19P3
MW 1005.64

Activity Summary

IC50 7 meas. best 9.02
EC50 4 meas. best 9.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
2-5A-dependent ribonuclease
CHEMBL3575
 EC50 9.82 9.7333 0.1 3
2-5A-dependent ribonuclease
CHEMBL2687
 IC50 9.02 8.71 0.9 2
2-5A-dependent ribonuclease
CHEMBL3575
 IC50 8.96 8.1725 1.1 4
Unchecked
CHEMBL612545
 EC50 7.82 7.82 15.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
2-5A-dependent ribonuclease EC50 = 0.15 nM 9.82 Activation of purified recombinant human Ribonuclease L by the compound was meas... 10714492
2-5A-dependent ribonuclease EC50 = 0.2 nM 9.7 Activation of purified recombinant human Ribonuclease L by the compound was meas... 10714492
2-5A-dependent ribonuclease EC50 = 0.21 nM 9.68 Binding affinity of compound to human recombinant Ribonuclease L was evaluated 10890163
2-5A-dependent ribonuclease IC50 = 0.95 nM 9.02 Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5'... 2993624
2-5A-dependent ribonuclease IC50 = 1.1 nM 8.96 Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5'... 2993624
2-5A-dependent ribonuclease IC50 = 4.0 nM 8.4 Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L)... 14584943
2-5A-dependent ribonuclease IC50 = 7.3 nM 8.14 Compound was tested for its binding ability, by displacement of p(A2'p)3A3'[32p]... 10714492
2-5A-dependent ribonuclease IC50 = 13.0 nM 7.89 Displacement of the probe bound to Ribonuclease L by compound in radiobinding as... 10890163
Unchecked EC50 = 15.3 nM 7.82 Activation of human RNase L using [CY5]-r(C11-UUC7)- [BHQ2] as substrate assesse... 35078032
2-5A-dependent ribonuclease IC50 = 20.0 nM 7.7 Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5'... 2993624

Literature References

PubMed DOI Target Context # Activities
10890163 10.1016/s0960-894x(00)00240-7 2-5A-dependent ribonuclease 4
10714492 10.1016/s0960-894x(99)00703-9 Unchecked 4
3712372 10.1021/jm00156a020 2-5A-dependent ribonuclease 4
6737414 10.1021/jm00372a004 2-5A-dependent ribonuclease 3
10714492 10.1016/s0960-894x(99)00703-9 2-5A-dependent ribonuclease 3
2993624 10.1021/jm00147a048 2-5A-dependent ribonuclease 3
14584943 10.1021/jm030035k 2-5A-dependent ribonuclease 2
6196481 10.1021/jm00366a003 Nucleic Acid 2
6196481 10.1021/jm00366a003 Unchecked 2
35078032 10.1016/j.bmc.2022.116632 Unchecked 1

Data from ChEMBL 36 via Core Engine