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Compound Detail

CHEMBL5779843

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Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(CF)CC4)ccc3n(CC3CC3)c2=O)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5779843
Phase Preclinical
Structure Type MOL
InChI Key PMNCFWOIDGCUPT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
1.14
ALogP
8
HBA
1
HBD
108.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24FN5O4S
MW 461.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Poly(ADP-ribose) glycohydrolase
CHEMBL1795143
 IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Poly(ADP-ribose) glycohydrolase IC50 = 40.0 nM 7.4 PARG Assay: PARG In vitro assays were conducted in a total volume of 15 ul in a ... -

Data from ChEMBL 36 via Core Engine