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Compound Detail

CHEMBL1386344

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Fc1ccc(N=C(S)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1

Basic Information

ChEMBL ID CHEMBL1386344
Phase Preclinical
Structure Type MOL
InChI Key AGZFUQYIGOLWBU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
4.51
ALogP
3
HBA
1
HBD
31.7
PSA (Ų)
0.34
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 C18H17F5N4S
MW 416.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -2.24

Activity Summary

IC50 2 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
IC50 6.85 6.85 142.1 1
COUP transcription factor 2
CHEMBL1961790
IC50 5.51 5.51 3068.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine