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Compound Detail

CHEMBL4215663

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COc1cc(NCc2ccc(C#N)cc2)ccc1C(=O)C(C)c1ccccc1F

Basic Information

ChEMBL ID CHEMBL4215663
Phase Preclinical
Structure Type MOL
InChI Key DXTLYFHTIAJXLP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
5.30
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21FN2O2
MW 388.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
IC50 5.28 5.28 5280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30252468 10.1021/acs.jmedchem.8b00971 Hypoxia-inducible factor 1-alpha 1

Data from ChEMBL 36 via Core Engine