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Compound Detail

CHEMBL5205347

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CCn1c2ccccc2c2cc(NC(=O)c3noc4ccccc34)ccc21

Basic Information

ChEMBL ID CHEMBL5205347
Phase Preclinical
Structure Type MOL
InChI Key JKEYOHDTZHCNBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
5.21
ALogP
4
HBA
1
HBD
60.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N3O2
MW 355.40
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
IC50 6.09 6.09 810.0 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