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Compound Detail

CHEMBL3214137

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O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl

Basic Information

ChEMBL ID CHEMBL3214137
Phase Preclinical
Structure Type MOL
InChI Key YFTSRVCVNUNVEV-DNTJNYDQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.7
MW (Da)
5.03
ALogP
3
HBA
1
HBD
41.5
PSA (Ų)
0.56
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 C16H13Cl3N2OS
MW 387.72
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.07

Activity Summary

IC50 2 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.19 5.19 6469.0 1
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 5.08 5.08 8303.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine