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Compound Detail

CHEMBL1427745

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CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O

Basic Information

ChEMBL ID CHEMBL1427745
Phase Preclinical
Structure Type MOL
InChI Key KZTZGDWERAVKKD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.51
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O3
MW 405.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.68

Activity Summary

IC50 2 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.28 5.28 5256.0 1
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 5.28 5.28 5265.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine