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Compound Detail

CHEMBL5819838

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COc1cc(OC)cc(S(=O)(=O)c2cccc3c(=O)n(O)c(=O)[nH]c23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5819838
Phase Preclinical
Structure Type MOL
InChI Key UMMGQQWUNQFGOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
0.78
ALogP
8
HBA
2
HBD
127.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O7S
MW 378.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Flap endonuclease 1
CHEMBL5027
 IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Flap endonuclease 1 IC50 = 17.0 nM 7.77 Enzymatic Assay: Fluorogenic biochemical assays used recombinant full-length FEN... -

Data from ChEMBL 36 via Core Engine