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Compound Detail

CHEMBL5280116

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O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(N2CCNC2=O)cc1

Basic Information

ChEMBL ID CHEMBL5280116
Phase Preclinical
Structure Type MOL
InChI Key NOHRXXPPZUBUTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.86
ALogP
3
HBA
3
HBD
90.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O2
MW 347.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.82

Activity Summary

IC50 1 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interferon-induced, double-stranded RNA-activated protein kinase
CHEMBL5785
IC50 5.41 5.41 3880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 3880.0 nM 5.41 Inhibition of PKR (unknown origin) 36400288

Literature References

PubMed DOI Target Context # Activities
36400288 10.1016/j.bmcl.2022.129047 Interferon-induced, double-stranded RNA-activated protein kinase 1

Data from ChEMBL 36 via Core Engine