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Compound Detail

CHEMBL120538

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N#Cc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1

Basic Information

ChEMBL ID CHEMBL120538
Phase Preclinical
Structure Type MOL
InChI Key ZAMPWUGMBYZMCM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
3.01
ALogP
3
HBA
1
HBD
65.4
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 C15H10N4
MW 246.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.51

Activity Summary

Ki 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
Ki 5.52 5.52 3001.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine