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Compound Detail

CHEMBL3666800

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CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3666800
Phase Preclinical
Structure Type MOL
InChI Key IGNRSKILPOQMNY-XYPYZODXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.99
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22F3N3O3S
MW 369.41
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL3802
 IC50 8.44 8.44 3.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 5 IC50 = 3.6 nM 8.44 Binding Assay: cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys.... -

Data from ChEMBL 36 via Core Engine