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Compound Detail

CHEMBL1398754

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Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1398754
Phase Preclinical
Structure Type MOL
InChI Key ZQJTYJZLKBRKPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.0
MW (Da)
6.68
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.32
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 C27H23ClN2O3S
MW 491.01
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.84

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 2
CHEMBL4018
 IC50 6.37 6.37 428.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 2 IC50 = 428.0 nM 6.37 PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... -

Data from ChEMBL 36 via Core Engine