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Compound Detail

CHEMBL3220249

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N#Cc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL3220249
Phase Preclinical
Structure Type MOL
InChI Key CCOKKRRFHHAEGV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.71
ALogP
5
HBA
1
HBD
75.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O2
MW 329.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 270.0 nM 6.57 Inhibition of HIF-1 (unknown origin) expressed in human HeLa cells after 12 hrs ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20134H Unchecked 1

Data from ChEMBL 36 via Core Engine