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Compound Detail

CHEMBL174011

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CCCN(CCC)CCc1ccc(O)c2c1C(C)C(=O)N2

Basic Information

ChEMBL ID CHEMBL174011
Phase Preclinical
Structure Type MOL
InChI Key FCNDDVFEFMHOME-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
3.11
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.76
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 C17H26N2O2
MW 290.41
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.19

Activity Summary

EC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
EC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus EC50 = 18.0 nM 7.75 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