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Compound Detail

CHEMBL1446166

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O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL1446166
Phase Preclinical
Structure Type MOL
InChI Key UDSYJVBVXRWNKE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.8
MW (Da)
4.72
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11ClN2OS
MW 314.80
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.14

Activity Summary

IC50 2 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 5.16 5.16 6943.0 1
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.0 5.0 10090.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine