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Compound Detail

CHEMBL1700467

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COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)Nc1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL1700467
Phase Preclinical
Structure Type MOL
InChI Key RSLZFXYZLHFVJD-AUEPDCJTSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.9
MW (Da)
3.91
ALogP
6
HBA
2
HBD
80.5
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClF2N5O2S
MW 449.87
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.33

Activity Summary

IC50 2 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 35
CHEMBL1293267
IC50 6.77 6.27 171.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine