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Compound Detail

CHEMBL116488

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Clc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL116488
Phase Preclinical
Structure Type MOL
InChI Key FWGUHPYSEBGSIU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.2
MW (Da)
5.60
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11Cl2N3
MW 340.21
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.87

Activity Summary

Ki 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
Ki 5.32 5.32 4769.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14505677 10.1016/s0960-894x(03)00747-9 Neuropeptide Y receptor type 5 1

Data from ChEMBL 36 via Core Engine