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Compound Detail

CHEMBL5189187

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O=C(Nc1ccccn1)c1noc2ccccc12

Basic Information

ChEMBL ID CHEMBL5189187
Phase Preclinical
Structure Type MOL
InChI Key BETHYGDDYXTKKV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
2.48
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9N3O2
MW 239.23
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
IC50 6.03 6.03 940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36518694 10.1021/acsmedchemlett.2c00308 Hypoxia-inducible factor 1-alpha 1
36518694 10.1021/acsmedchemlett.2c00308 HEK-293T 1

Data from ChEMBL 36 via Core Engine