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Compound Detail

CHEMBL2334880

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COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4

Basic Information

ChEMBL ID CHEMBL2334880
Phase Preclinical
Structure Type MOL
InChI Key TUTLRKKYUXPDGN-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.79
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO4
MW 325.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.37

Activity Summary

Ki 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL2056
Ki 6.25 6.25 565.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23332346 10.1016/j.bmc.2012.12.016 D(1A) dopamine receptor 2
23332346 10.1016/j.bmc.2012.12.016 5-hydroxytryptamine receptor 1A 2
23332346 10.1016/j.bmc.2012.12.016 D(2) dopamine receptor 2
23332346 10.1016/j.bmc.2012.12.016 5-hydroxytryptamine receptor 2A 2

Data from ChEMBL 36 via Core Engine