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Compound Detail

CHEMBL1426022

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Cl.OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21

Basic Information

ChEMBL ID CHEMBL1426022
Phase Preclinical
Structure Type MOL
InChI Key MGZDZUHCLFAIPX-UHFFFAOYSA-N
Parent Compound CHEMBL1620460
Active Moiety CHEMBL1620460
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.5
MW (Da)
4.34
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28ClNO
MW 357.93
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.16

Activity Summary

IC50 2 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.36 5.36 4383.0 1
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 4.99 4.99 10170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine