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Compound Detail

CHEMBL1466203

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COC(=O)C1=C(N)c2c(F)cccc2C1(C#N)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL1466203
Phase Preclinical
Structure Type MOL
InChI Key PBNJGMAIWKFONB-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
2.63
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 C18H12F2N2O2
MW 326.30
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.49

Activity Summary

IC50 3 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
IC50 5.94 5.92 1140.0 2
Cannabinoid receptor 1
CHEMBL218
IC50 4.51 4.51 30700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine