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Compound Detail

CHEMBL1427504

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O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL1427504
Phase Preclinical
Structure Type MOL
InChI Key NVGDYEZKSPNREY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
6.53
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17Cl2NOS
MW 402.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.58

Activity Summary

IC50 2 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 5.25 5.25 5687.0 1
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.22 5.22 6065.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine