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Compound Detail

CHEMBL155925

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CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1

Basic Information

ChEMBL ID CHEMBL155925
Phase Preclinical
Structure Type MOL
InChI Key GRDAYKOZIFYHQG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.7
MW (Da)
5.99
ALogP
6
HBA
0
HBD
42.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H44N4O2
MW 504.72
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.14

Activity Summary

Ki 1 meas. best 8.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 1
CHEMBL4777
Ki 8.79 8.79 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10201822 10.1016/s0960-894x(99)00082-7 Neuropeptide Y receptor type 1 1

Data from ChEMBL 36 via Core Engine