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Compound Detail

CHEMBL3134061

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CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCN)c(O)c1-3

Basic Information

ChEMBL ID CHEMBL3134061
Phase Preclinical
Structure Type MOL
InChI Key BYNOKCOVEBNKRF-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
2.87
ALogP
4
HBA
2
HBD
58.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O2
MW 324.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.14

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor EC50 = 10.0 nM 8.0 Agonist activity at human recombinant dopamine D2L receptor expressed in CHOFlpI... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00154G D(2) dopamine receptor 2

Data from ChEMBL 36 via Core Engine