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Compound Detail

CHEMBL5196576

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O=C(O)c1nc(Cc2ccc(F)c(F)c2)[nH]c(=O)c1O

Basic Information

ChEMBL ID CHEMBL5196576
Phase Preclinical
Structure Type MOL
InChI Key HPKJCVGGSZSFHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.2
MW (Da)
1.04
ALogP
4
HBA
3
HBD
103.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8F2N2O4
MW 282.20
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tripartite terminase subunit 3
CHEMBL4879551
IC50 6.06 6.06 870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35377638 10.1021/acs.jmedchem.2c00203 Tripartite terminase subunit 3 3

Data from ChEMBL 36 via Core Engine