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Compound Detail

CHEMBL4855079

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COCc1nc2cc(C)cc(-c3nn4cc(C)nc4s3)c2[nH]1

Basic Information

ChEMBL ID CHEMBL4855079
Phase Preclinical
Structure Type MOL
InChI Key UHAHMNSIYNZMNL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.10
ALogP
6
HBA
1
HBD
68.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5OS
MW 313.39
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteinase-activated receptor 4
CHEMBL4879420
IC50 5.5 5.5 3130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34391031 10.1016/j.ejmech.2021.113764 Proteinase-activated receptor 4 1

Data from ChEMBL 36 via Core Engine