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Compound Detail

CHEMBL3715479

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COc1cc(OCc2csc(-c3ccc(F)nc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1

Basic Information

ChEMBL ID CHEMBL3715479
Phase Preclinical
Structure Type MOL
InChI Key CCIZIVKNXWVTSY-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
5.70
ALogP
9
HBA
0
HBD
87.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18FN5O3S
MW 487.52
Aromatic Rings 6
Heavy Atoms 35
NP-Likeness -1.48

Activity Summary

EC50 3 meas. best 9.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteinase-activated receptor 4
CHEMBL4691
EC50 9.74 9.74 0.2 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine