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Compound Detail

CHEMBL5571151

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O=C1c2ccccc2-n2c1nc1cccc(F)c1c2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571151
Phase Preclinical
Structure Type MOL
InChI Key NDRPFJOUHWQIHB-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
2.07
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H7FN2O2
MW 266.23
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.43

Activity Summary

IC50 4 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A549
CHEMBL392
 IC50 5.26 5.26 5450.0 1
HepG2
CHEMBL395
 IC50 5.2 5.2 6260.0 1
K562
CHEMBL385
 IC50 5.16 5.16 6860.0 1
PC-3
CHEMBL390
 IC50 4.91 4.91 12360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A549 IC50 = 5450.0 nM 5.26 Antiproliferative activity against human A549 cells incubated by 48 hrs by MTT a... 38665827
HepG2 IC50 = 6260.0 nM 5.2 Antiproliferative activity against human HepG2 cells incubated by 48 hrs by MTT ... 38665827
K562 IC50 = 6860.0 nM 5.16 Antiproliferative activity against human K562 cells incubated by 48 hrs by MTT a... 38665827
PC-3 IC50 = 12360.0 nM 4.91 Antiproliferative activity against human PC-3 cells incubated by 48 hrs by MTT a... 38665827

Literature References

PubMed DOI Target Context # Activities
38665827 10.1039/d3md00698k A549 1
38665827 10.1039/d3md00698k K562 1
38665827 10.1039/d3md00698k HepG2 1
38665827 10.1039/d3md00698k PC-3 1

Data from ChEMBL 36 via Core Engine