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Compound Detail

CHEMBL368590

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CCCN(CCC)CCc1ccc2c(c1)CC(=O)N2

Basic Information

ChEMBL ID CHEMBL368590
Phase Preclinical
Structure Type MOL
InChI Key RTQSAMVMLWUMFP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.4
MW (Da)
2.85
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.82
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 C16H24N2O
MW 260.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.96

Activity Summary

EC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
EC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus EC50 = 3000.0 nM 5.52 Ability to stimulate peripheral prejunctional dopaminergic receptors by 50% inhi... 3712384

Literature References

PubMed DOI Target Context # Activities
3712384 10.1021/jm00156a010 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine