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Compound Detail

CHEMBL325727

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Clc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1

Basic Information

ChEMBL ID CHEMBL325727
Phase Preclinical
Structure Type MOL
InChI Key OKDYMXMUZBZJAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

255.7
MW (Da)
3.79
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10ClN3
MW 255.71
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.46

Activity Summary

Ki 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
Ki 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14505677 10.1016/s0960-894x(03)00747-9 Rattus norvegicus 19
14505677 10.1016/s0960-894x(03)00747-9 Neuropeptide Y receptor type 5 1

Data from ChEMBL 36 via Core Engine