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Compound Detail

CHEMBL3718152

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COc1cc(OCc2nc(-c3cccnc3F)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1

Basic Information

ChEMBL ID CHEMBL3718152
Phase Preclinical
Structure Type MOL
InChI Key FBFHUEYJSRYTGH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

523.6
MW (Da)
5.77
ALogP
11
HBA
0
HBD
96.8
PSA (Ų)
0.24
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18FN5O4S2
MW 523.57
Aromatic Rings 6
Heavy Atoms 36
NP-Likeness -1.05

Activity Summary

EC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteinase-activated receptor 4
CHEMBL4691
EC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine