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Compound Detail

CHEMBL41392

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N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccn1

Basic Information

ChEMBL ID CHEMBL41392
Phase Preclinical
Structure Type MOL
InChI Key SKXIODLCUDAQPH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.6
MW (Da)
2.32
ALogP
4
HBA
5
HBD
133.0
PSA (Ų)
0.16
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N6O2
MW 472.59
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 4.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 4.94 4.94 11500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10915060 10.1016/s0960-894x(00)00292-4 Neuropeptide Y receptor type 1 1

Data from ChEMBL 36 via Core Engine