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Compound Detail

CHEMBL4521080

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O=C(Nc1cnoc1)c1cn2cc(-c3ccccn3)ccc2n1

Basic Information

ChEMBL ID CHEMBL4521080
Phase Preclinical
Structure Type MOL
InChI Key NZLDGMWLGOUOQE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
2.64
ALogP
6
HBA
1
HBD
85.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N5O2
MW 305.30
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -2.12

Activity Summary

EC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 4 group A member 2
CHEMBL3879839
EC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30773432 10.1016/j.bmcl.2019.01.024 Nuclear receptor subfamily 4 group A member 2 4

Data from ChEMBL 36 via Core Engine