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Compound Detail

CHEMBL6022471

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Cc1ccc(S(=O)(=O)N(C)C(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6022471
Phase Preclinical
Structure Type MOL
InChI Key AUPGBCRTIMEUMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

235.2
MW (Da)
1.84
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11F2NO2S
MW 235.25
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.71

Activity Summary

Kd 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Advanced glycosylation end product-specific receptor
CHEMBL2176846
 Kd 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Advanced glycosylation end product-specific receptor Kd = 500.0 nM 6.3 High-Throughput Screening Assay: Day 1Step 1. Add 50 μl anti-mDial (1:160 diluti... -

Data from ChEMBL 36 via Core Engine