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Compound Detail

CHEMBL265469

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CC(=O)c1ccc(NC(=S)NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL265469
Phase Preclinical
Structure Type MOL
InChI Key XDJFIKWBKYTBRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.8
MW (Da)
4.23
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.26
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 C19H18Cl3N3O2S
MW 458.80
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.38

Activity Summary

EC50 1 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
2-5A-dependent ribonuclease
CHEMBL3575
 EC50 4.1 4.1 79000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
2-5A-dependent ribonuclease EC50 = 79000.0 nM 4.1 Activation of human recombinant Rnase L assessed as cleavage of FRET RNA probe 17535916

Literature References

PubMed DOI Target Context # Activities
17535916 10.1073/pnas.0700590104 2-5A-dependent ribonuclease 1

Data from ChEMBL 36 via Core Engine