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Compound Detail

CHEMBL1582765

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COC(=O)C1=C(N)c2c(F)cccc2C1(C#N)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1582765
Phase Preclinical
Structure Type MOL
InChI Key UBPUFJUMTJUBND-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
2.49
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13FN2O2
MW 308.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.32

Activity Summary

IC50 2 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
IC50 6.03 5.83 928.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine