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Compound Detail

CHEMBL5537041

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COc1ccc(-c2ccc3c(=O)n(CCc4ccccc4)ccc3c2)cc1

Basic Information

ChEMBL ID CHEMBL5537041
Phase Preclinical
Structure Type MOL
InChI Key YONGTGKRCXENMP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
4.92
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21NO2
MW 355.44
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.66 5.66 2180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2180.0 nM 5.66 Inhibition of HIF-1 (unknown origin) expressed in MH7A cells cotransfected with ... 38688063

Literature References

PubMed DOI Target Context # Activities
38688063 10.1016/j.ejmech.2024.116417 Unchecked 3

Data from ChEMBL 36 via Core Engine