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Compound Detail

CHEMBL4203146

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CC(C(=O)c1ccc(NCc2ccccc2)cc1)c1ccccc1F

Basic Information

ChEMBL ID CHEMBL4203146
Phase Preclinical
Structure Type MOL
InChI Key LXNVPVUPIABPBB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
5.42
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20FNO
MW 333.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
IC50 5.13 5.13 7350.0 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