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Compound Detail

CHEMBL1432676

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CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1.Cl

Basic Information

ChEMBL ID CHEMBL1432676
Phase Preclinical
Structure Type MOL
InChI Key WOLJNABPEMDNLM-UHFFFAOYSA-N
Parent Compound CHEMBL1620776
Active Moiety CHEMBL1620776
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.5
MW (Da)
4.73
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28ClN
MW 341.93
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.21 5.21 6166.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 2 IC50 = 6166.0 nM 5.21 PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... -

Data from ChEMBL 36 via Core Engine