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Compound Detail

CHEMBL2106804

NAXAGOLIDE HYDROCHLORIDE
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CCCN1CCO[C@@H]2c3cc(O)ccc3CC[C@H]21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2106804
Name NAXAGOLIDE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key NNEACMQMRLNNIL-CTHHTMFSSA-N
Parent Compound CHEMBL69271
Active Moiety CHEMBL69271

Known Names

L-647,339 L-647339 MK-458 Naxagolide hcl Naxagolide hydrochloride
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
5
Publications
5
Known Names

Molecular Properties

247.3
MW (Da)
2.49
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Year 1989

Extended Properties

Molecular Formula C15H22ClNO2
MW 283.80
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.59

Activity Summary

Ki 10 meas. best 9.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 Ki 9.47 8.3557 0.3 7
D(2) dopamine receptor
CHEMBL339
 Ki 9.22 9.22 0.6 1
D(3) dopamine receptor
CHEMBL234
 Ki 9.0 8.985 1.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 0.3388 nM 9.47 Displacement of [3H]spiperone from high-affinity state of human dopamine D2L rec... 24325578
D(2) dopamine receptor Ki = 0.45 nM 9.35 Displacement of [3H]spiperone from high-affinity state of human dopamine D2L rec... 24325578
D(2) dopamine receptor Ki = 0.6 nM 9.22 Displacement of dopamine/[3-H]domperidone from high-affinity state of rat D2L re... 24325578
D(3) dopamine receptor Ki = 1.0 nM 9.0 Displacement of [3H]spiperone from human dopamine D3 receptor transfected in HEK... 24325578
D(3) dopamine receptor Ki = 1.08 nM 8.97 Displacement of [3H]spiperone from human dopamine D3 receptor transfected in HEK... 24325578
D(2) dopamine receptor Ki = 1.5 nM 8.82 Binding affinity to high-affinity state of D2L receptor (unknown origin) 24325578
D(2) dopamine receptor Ki = 16.98 nM 7.77 Displacement of [3H]spiperone from low-affinity state of human dopamine D2S rece... 24325578
D(2) dopamine receptor Ki = 18.7 nM 7.73 Displacement of [3H]spiperone from low-affinity state of human dopamine D2S rece... 24325578
D(2) dopamine receptor Ki = 20.89 nM 7.68 Displacement of [3H]spiperone from low-affinity state of human dopamine D2L rece... 24325578
D(2) dopamine receptor Ki = 21.4 nM 7.67 Displacement of [3H]spiperone from low-affinity state of human dopamine D2L rece... 24325578

Literature References

PubMed DOI Target Context # Activities
24325578 10.1021/jm401384w D(2) dopamine receptor 8
24325578 10.1021/jm401384w D(3) dopamine receptor 2
24325578 10.1021/jm401384w D(1B) dopamine receptor 1
24325578 10.1021/jm401384w D(4) dopamine receptor 1
24325578 10.1021/jm401384w D(1A) dopamine receptor 1

Data from ChEMBL 36 via Core Engine