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Compound Detail

CHEMBL259633

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O=c1[nH]c(-c2cccc(O)c2)nc2sc3c(c12)CCCC3

Basic Information

ChEMBL ID CHEMBL259633
Phase Preclinical
Structure Type MOL
InChI Key YEBWEMIJOWUBEM-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
3.24
ALogP
4
HBA
2
HBD
66.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O2S
MW 298.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.45

Activity Summary

EC50 1 meas. best 4.66
Kd 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
2-5A-dependent ribonuclease
CHEMBL3575
Kd 4.92 4.92 12000.0 1
2-5A-dependent ribonuclease
CHEMBL3575
EC50 4.66 4.66 22000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17535916 10.1073/pnas.0700590104 2-5A-dependent ribonuclease 6
17535916 10.1073/pnas.0700590104 Human respirovirus 3 3
17535916 10.1073/pnas.0700590104 Encephalomyocarditis virus 2
17535916 10.1073/pnas.0700590104 NON-PROTEIN TARGET 2
17535916 10.1073/pnas.0700590104 ADMET 1
17535916 10.1073/pnas.0700590104 Respirovirus muris 1

Data from ChEMBL 36 via Core Engine