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Compound Detail

CHEMBL330066

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Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCCN2)cc1

Basic Information

ChEMBL ID CHEMBL330066
Phase Preclinical
Structure Type MOL
InChI Key SUZGEAOMJKXUKB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.9
MW (Da)
5.19
ALogP
4
HBA
1
HBD
39.1
PSA (Ų)
0.61
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN3O
MW 383.92
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.10

Activity Summary

Ki 1 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 1
CHEMBL4777
Ki 5.49 5.49 3230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9667962 10.1021/jm9706630 Neuropeptide Y receptor type 1 1

Data from ChEMBL 36 via Core Engine