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Compound Detail

CHEMBL298342

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O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL298342
Phase Preclinical
Structure Type MOL
InChI Key QLOPXXURXBHVMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
4.41
ALogP
5
HBA
3
HBD
130.4
PSA (Ų)
0.22
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O5S
MW 470.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.67

Activity Summary

Ki 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
Ki 6.82 6.82 151.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12067558 10.1016/s0960-894x(02)00288-3 Neuropeptide Y receptor type 5 1

Data from ChEMBL 36 via Core Engine