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Compound Detail

CHEMBL348123

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CC(C)CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1

Basic Information

ChEMBL ID CHEMBL348123
Phase Preclinical
Structure Type MOL
InChI Key ZYEDUAIORZVGTL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

560.8
MW (Da)
7.41
ALogP
6
HBA
0
HBD
42.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H52N4O2
MW 560.83
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.05

Activity Summary

Ki 1 meas. best 9.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 1
CHEMBL4777
Ki 9.54 9.54 0.3 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