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Compound Detail

CHEMBL277592

ITAZIGREL
🧪 Phase II
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🧪 Phase II
COc1ccc(-c2nc(C(F)(F)F)sc2-c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277592
Name ITAZIGREL
Phase Phase II
Structure Type MOL
InChI Key CIPBQTCSXVEDSG-UHFFFAOYSA-N

Known Names

Itazigrel Itazogrel U-53,059 U-53059
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
4
Known Names

Molecular Properties

365.4
MW (Da)
5.51
ALogP
4
HBA
0
HBD
31.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -grel
USAN Year 1986

Extended Properties

Molecular Formula C18H14F3NO2S
MW 365.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 8.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
 IC50 8.25 8.25 5.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 5.6 nM 8.25 In vitro antiplatelet activity against arachidonic acid induced malondialdehyde ... 8164261

Literature References

PubMed DOI Target Context # Activities
7310827 10.1021/jm00144a026 Cavia porcellus 13
8164261 10.1021/jm00034a017 Cavia porcellus 4
8164261 10.1021/jm00034a017 Rattus norvegicus 3
8164261 10.1021/jm00034a017 NON-PROTEIN TARGET 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
8164261 10.1021/jm00034a017 Oryctolagus cuniculus 1
7310827 10.1021/jm00144a026 Homo sapiens 1

Data from ChEMBL 36 via Core Engine