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Compound Detail

CHEMBL485127

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CCCN1CCO[C@H]2c3cc4c(cc3CC[C@@H]21)CNC4=O

Basic Information

ChEMBL ID CHEMBL485127
Phase Preclinical
Structure Type MOL
InChI Key FTCVLHZRRJVLPD-HOTGVXAUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
2.03
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O2
MW 286.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.61

Activity Summary

Ki 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
Ki 6.3 6.3 501.2 1
D(3) dopamine receptor
CHEMBL234
Ki 6.05 6.05 891.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19324548 10.1016/j.bmcl.2009.03.015 D(2) dopamine receptor 1
19324548 10.1016/j.bmcl.2009.03.015 D(3) dopamine receptor 1
19324548 10.1016/j.bmcl.2009.03.015 Unchecked 1

Data from ChEMBL 36 via Core Engine